SCHEMBL9736561

SCHEMBL9736561

CC(C)Cc1nc(C(C)(C)C)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.55
AGTR2 P50052 9/20 0.55
FOLH1 Q04609 1/20 0.44
DHODH Q02127 1/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 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
SCHEMBL6006113 0.89 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9528355 0.84 FOLH1 (0.42) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL6008026 0.84 AGTR1 (0.55) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL9532017 0.83 AGTR1 (0.55) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL9532478 0.82 AGTR1 (0.54) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL6005883 0.81 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL6008326 0.79 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9528902 0.79 AGTR1 (0.49) AGTR1AGTR2FOLH1DHODH
SCHEMBL6006839 0.78 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL6004636 0.77 AGTR1 (0.56) 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