SCHEMBL9552189

SCHEMBL9552189

C#CCCn1nc(OCC)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.48
AGTR2 P50052 5/20 0.48
PPARG P37231 1/20 0.41

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
SCHEMBL9552702 0.93 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9552302 0.90 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9552110 0.90 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9552178 0.89 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL9553142 0.88 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9552616 0.88 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9553158 0.87 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9553504 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9552031 0.87 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL6007481 0.86 AGTR1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed