SCHEMBL4596222

SCHEMBL4596222

CCCc1nc2c(C)cc(-c3cn(C)cn3)cc2n1Cc1cccc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.53
AGTR2 P50052 7/20 0.53
PPARG P37231 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
CYP2C9 P11712 1/20 0.53
ACE P12821 1/20 0.53
ADRA2C P18825 1/20 0.53
TBXA2R P21731 1/20 0.53
GLRA1 P23415 1/20 0.53
PDE4A P27815 1/20 0.53

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
SCHEMBL4596219 0.88 AGTR1 (0.59) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL813386 0.84 AGTR1 (0.73) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL812541 0.84 AGTR1 (0.57) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL5336631 0.84 PPARG (0.72) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7306802 0.80 AGTR1 (0.58) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL813335 0.78 AGTR1 (0.55) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8874061 0.78 AGTR1 (0.59) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8847747 0.77 AGTR1 (0.59) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7303699 0.76 AGTR1 (0.70) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7311853 0.76 PPARG (0.59) AGTR1AGTR2PPARGKDM4EABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871764-A1 A SYNTHESIS OF 4-BROMOMETHYL-2'-FORMYLBIPHENYL AND 4-BROMOMETHYL-2'- HYDROXYMETHYLBIPHENYL AND ITS USE IN PREPARATION OF ANGIOTENSIN II ANTAGONISTS LEK Pharmaceuticals D.D. (SI) 2008-01-02 EP disclosed
WO-2006103068-A1 A SYNTHESIS OF 4-BROMOMETHYL-2'-FORMYLBIPHENYL AND 4-BROMOMETHYL-2'- HYDROXYMETHYLBIPHENYL AND ITS USE IN PREPARATION OF ANGIOTENSIN II ANTAGONISTS LEK PHARMACEUTICALS D.D. (SI) 2006-10-05 WO disclosed