SCHEMBL9738115

SCHEMBL9738115

CC=CCc1nc(CC=CC)n(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
AGTR1 P30556 13/20 0.43
AGTR2 P50052 13/20 0.43
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL9738109 1.00 FOLH1 (0.44) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9527548 0.94 FOLH1 (0.41) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9738059 0.91 AGTR1 (0.50) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9738055 0.91 AGTR1 (0.50) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL6006616 0.89 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL6006614 0.89 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL6007236 0.83 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL6006201 0.83 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL6006203 0.83 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL6006901 0.82 AGTR1 (0.65) AGTR1AGTR2PPARG

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