SCHEMBL8422151

SCHEMBL8422151

Cc1ccc(C(=O)O)c2c1nc(N1CCCCC1)n2-c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.35
MAPT P10636 1/20 0.35
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8420002 0.92 MAP4K1 (0.36) MAPTKDM4EALDH1A1GAAMAPK1
SCHEMBL8421176 0.92 CFTR (0.38) DHODHMAPTKDM4EALDH1A1MCL1
SCHEMBL8417199 0.84 ALDH1A1 (0.39) MAPTKDM4EALDH1A1CYP2D6CYP2C9
SCHEMBL8635491 0.84 DHODH (0.35) DHODHAGTR1AGTR2CYP3A4CYP2C9
SCHEMBL8419217 0.83 AGTR1 (0.33) DHODHAGTR1ALDH1A1MEN1TSHR
SCHEMBL8419087 0.83 DHODH (0.32) DHODHAGTR1AGTR2
SCHEMBL8421698 0.81 AGTR1 (0.41) AGTR1AGTR2CYP3A4CYP2C9
SCHEMBL8417941 0.81 PPARG (0.35) AGTR1AGTR2CYP3A4CYP2C9
SCHEMBL8418024 0.81 ALDH1A1 (0.36) AGTR1AGTR2ALDH1A1CYP3A4CYP2C9
SCHEMBL8519654 0.80 AGTR1 (0.33) AGTR1AGTR2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed