SCHEMBL730354

SCHEMBL730354

[CH2]Cn1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.66
GRM2 Q14416 2/20 0.61
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
GLA P06280 1/20 0.56
KCNMA1 Q12791 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.54
MGAM O43451 1/20 0.53
AMY1A P0DUB6 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2D6 P10635 1/20 0.51
RPS6KA3 P51812 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL731716 0.84 SLC9A1 (0.68) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL1774497 0.83 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31234269 0.83 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL730645 0.81 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL251561 0.79 SLC9A1 (0.66) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL6125436 0.79 SLC9A1 (0.66) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL2794079 0.79 SLC9A1 (0.66) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL6736070 0.79 SLC9A1 (0.66) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL14796568 0.79 SLC9A1 (0.79) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL45852 0.79 SLC9A1 (1.00) SLC9A1GRM2RAB9ANPC1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed
US-4658009-A Novel 2-substituted-4,6-diamino-s-triazine/isocyanuric acid adduct, process for synthesis of said adduct and process for curing polyepoxy resin with said adduct SHIKOKU CHEMICALS CORPORATION (JP) 1987-04-14 US disclosed
EP-0194895-A2 2-substituted-4, 6-diamino-s-triazine/isocyanuric acid adduct, process for synthesis of said adduct and process for curing polyepoxy resin with said adduct SHIKOKU CHEMICALS CORPORATION (JP) 1986-09-17 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed