SCHEMBL7414477

SCHEMBL7414477

NNCc1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.59
IDO1 P14902 1/20 0.48
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TACR1 P25103 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HTR7 P34969 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
Hydrochloric Acid SCHEMBL10786955 0.98 DPP4 (0.57) DPP4IDO1MAPTCYP3A4SLC6A2
SCHEMBL5249556 0.79 KMT2A (0.51) DPP4MAPTALDH1A1KMT2AFFAR1
SCHEMBL417693 0.78 LTA4H (0.55) DPP4MAPTCYP3A4SLC6A2SLC6A4
SCHEMBL5547105 0.78 DPP4 (0.54) DPP4IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL5373915 0.78 TACR1 (0.58) DPP4SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL24093262 0.78 DPP4 (0.54) DPP4SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL17167340 0.76 SCN8A (0.56) DPP4SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL10449365 0.75 TACR1 (0.51) DPP4SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL22073548 0.75 ALDH1A1 (0.47) IDO1MAPTCYP3A4ALDH1A1GAA
SCHEMBL1405700 0.75 KMT2A (0.51) DPP4ALDH1A1KMT2AFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
EP-3421470-B1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES IN CRYSTALLINE FORM ADVERIO PHARMA GMBH (DE) 2021-01-20 EP disclosed
EP-3421470-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES IN CRYSTALLINE FORM Adverio Pharma GmbH (DE) 2019-01-02 EP disclosed
EP-2782914-B1 METHOD FOR PRODUCING SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES ADVERIO PHARMA GMBH (DE) 2018-08-01 EP disclosed
EP-2896617-B1 METHOD FOR PRODUCING SUBSTITUTED (Z)-ALPHA-FLUORO-BETA-AMINO-ACRYLALDEHYDES ADVERIO PHARMA GMBH (DE) 2016-10-05 EP disclosed
EP-2896617-A1 Method for producing substituted 5-fluoro-1h-pyrazolopyridines Adverio Pharma GmbH (DE) 2015-07-22 EP disclosed
EP-2782914-A1 METHOD FOR PRODUCING SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2014-10-01 EP disclosed
WO-2013076168-A1 METHOD FOR PRODUCING SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-05-30 WO disclosed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4179439-A Rifamycins and method for their preparation INTREPRINDEREA DE ANTIBIOTICE IASI (RO) 1979-12-18 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4076943-A DIURETICS, SALURETICS, ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-4061653-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed
US-3950528-A HYPOTENSIVE AGENTS, SALURETICS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed