SCHEMBL9736606

SCHEMBL9736606

CC/C=C/c1nc(CCC(C)C)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.42
AGTR2 P50052 12/20 0.42
BRS3 P32247 1/20 0.40
FOLH1 Q04609 1/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 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
SCHEMBL9736608 1.00 AGTR1 (0.42) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL6005416 0.90 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL6005421 0.90 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL9532017 0.82 AGTR1 (0.55) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL6006743 0.81 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL6006747 0.81 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL6004824 0.81 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL6004823 0.81 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9528852 0.80 FOLH1 (0.41) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9739525 0.80 AGTR1 (0.54) AGTR1AGTR2

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