SCHEMBL6983488

SCHEMBL6983488

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(c3ccccc3)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHRNA7 P36544 1/20 0.40
DRD3 P35462 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRA1D P25100 1/20 0.37
MAPK3 P27361 1/20 0.37
HTR2C P28335 1/20 0.37
MC4R P32245 1/20 0.37

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
SCHEMBL6985365 0.86 LMNA (0.42) SIGMAR1TP53CYP3A4HIF1AMC4R
SCHEMBL4035933 0.86 ALOX15 (0.50) DRD2SIGMAR1CHRNA7DRD3USP2
Hydrochloric Acid SCHEMBL6984445 0.86 DRD2 (0.44) DRD2TP53MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6979044 0.85 LMNA (0.41) SIGMAR1TP53TSHRHIF1AMC4R
Hydrochloric Acid SCHEMBL6986397 0.85 HTR1A (0.41) DRD2DRD3USP2TP53CYP3A4
SCHEMBL6976114 0.84 USP2 (0.32) DRD2DRD3USP2TP53CYP3A4
SCHEMBL6981065 0.84 SIGMAR1 (0.41) DRD2SIGMAR1OPRM1SLC6A3MAPT
SCHEMBL6981092 0.84 DRD3 (0.34) DRD2DRD3USP2TP53CYP3A4
SCHEMBL9698183 0.84 OPRM1 (0.38) DRD2SIGMAR1DRD3USP2CYP3A4
SCHEMBL3936522 0.83 LMNA (0.36) DRD2DRD3USP2TP53CYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112282802-B Large-span underground cavern explosion-free cutting excavation construction method 山东文登抽水蓄能有限公司 2022-12-09 CN claimed
CN-113208199-B Preparation method of wrinkled bright piece one-piece dress and one-piece dress prepared by same 雅蒂诗(广州)时装有限公司 2022-11-18 CN claimed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP claimed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US claimed
US-11851718-B2 InDel marker genotype database of Malus and use in identity fingerprinting of germplasm resources CHINA AGRICULTURAL UNIVERSITY (CN) 2023-12-26 US disclosed
CN-112282802-B Large-span underground cavern explosion-free cutting excavation construction method 山东文登抽水蓄能有限公司 2022-12-09 CN disclosed
CN-113208199-B Preparation method of wrinkled bright piece one-piece dress and one-piece dress prepared by same 雅蒂诗(广州)时装有限公司 2022-11-18 CN disclosed
CN-115104505-A Decision-making method for field irrigation 上海兰桂骐技术发展股份有限公司 2022-09-27 CN disclosed
US-20220090213-A1 INDEL MARKER GENOTYPE DATABASE OF MALUS AND USE IN IDENTITY FINGERPRINTING OF GERMPLASM RESOURCES CHINA AGRICULTURAL UNIVERSITY (CN) 2022-03-24 US disclosed
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed