SCHEMBL7309650

SCHEMBL7309650

CCCc1nc2c(CC)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.67
KDM4E B2RXH2 1/20 0.64
ABCC3 O15438 1/20 0.64
ABCC4 O15439 1/20 0.64
USP2 O75604 1/20 0.64
ABCB11 O95342 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CHRM2 P08172 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRA2A P08913 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
CYP2C9 P11712 1/20 0.64
ACE P12821 1/20 0.64
ADRA2C P18825 1/20 0.64
TBXA2R P21731 1/20 0.64
GLRA1 P23415 1/20 0.64
PDE4A P27815 1/20 0.64
HTR2A P28223 1/20 0.64
MAPK1 P28482 1/20 0.64

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
SCHEMBL29390517 0.92 PPARG (0.73) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL2020774 0.92 PPARG (0.73) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL7304123 0.91 PPARG (0.68) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL9094539 0.88 PPARG (0.77) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL7309057 0.87 PPARG (0.66) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL9094852 0.86 PPARG (0.79) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL7305786 0.85 PPARG (0.86) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL7305793 0.85 PPARG (0.68) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL3679091 0.85 PPARG (0.65) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL12463072 0.84 PPARG (0.72) PPARGKDM4EABCC3ABCC4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502314-B1 Benzimidazol derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-05-20 EP disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed