SCHEMBL9735863

SCHEMBL9735863

CCc1nc(C(=O)CC2CCCCC2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
AGTR1 P30556 9/20 0.39
AGTR2 P50052 9/20 0.39
ADORA1 P30542 1/20 0.38
BRS3 P32247 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37

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
SCHEMBL6007921 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9737230 0.84 FOLH1 (0.44) FOLH1AGTR1AGTR2
SCHEMBL9530302 0.82 AGTR1 (0.47) FOLH1AGTR1AGTR2
SCHEMBL6004604 0.82 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL6006020 0.81 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9529085 0.81 FOLH1 (0.45) FOLH1AGTR1AGTR2
SCHEMBL6004755 0.81 AGTR1 (0.60) AGTR1AGTR2BRS3
SCHEMBL6007223 0.79 AGTR1 (0.44) AGTR1AGTR2BRS3
SCHEMBL6004801 0.79 AGTR1 (0.50) AGTR1AGTR2BRS3
SCHEMBL6007106 0.79 AGTR1 (0.46) AGTR1AGTR2BRS3

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
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 WO disclosed