SCHEMBL9410705

SCHEMBL9410705

CCCc1nc2c(C)cc(N)cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.54
PPARG P37231 3/20 0.53
AGTR2 P50052 11/20 0.53
KDM4E B2RXH2 1/20 0.52
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
USP2 O75604 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
CYP2C9 P11712 1/20 0.52
ACE P12821 1/20 0.52
ADRA2C P18825 1/20 0.52
TBXA2R P21731 1/20 0.52
GLRA1 P23415 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL9410724 0.91 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9572850 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9410712 0.88 AGTR1 (0.51) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL4884818 0.87 AGTR1 (0.60) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL4615513 0.86 PPARG (0.72) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL7299391 0.86 AGTR1 (0.54) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL9573365 0.86 AGTR1 (0.53) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL9044957 0.86 AGTR1 (0.53) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL7299389 0.86 AGTR1 (0.55) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL9043769 0.86 AGTR1 (0.53) AGTR1PPARGAGTR2KDM4EABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591891-A2 Benzimidazole derivatives as Angiotensin II antagonists Dr. Karl Thomae GmbH (DE) 1994-04-13 EP disclosed