SCHEMBL9552147

SCHEMBL9552147

CC#CCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.45
AGTR2 P50052 4/20 0.45
LTB4R2 Q9NPC1 2/20 0.43
BRS3 P32247 4/20 0.40

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
SCHEMBL9552996 0.89 AGTR1 (0.49) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9553676 0.88 AGTR1 (0.44) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9723391 0.87 LTB4R2 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL6006958 0.86 AGTR1 (0.45) AGTR1AGTR2LTB4R2
SCHEMBL9553243 0.86 AGTR1 (0.47) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9552473 0.86 AGTR1 (0.47) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9552545 0.85 BRS3 (0.47) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9552237 0.85 AGTR1 (0.46) AGTR1AGTR2LTB4R2BRS3
SCHEMBL9552403 0.84 LTB4R2 (0.51) AGTR1AGTR2LTB4R2
SCHEMBL9552258 0.84 AGTR1 (0.45) AGTR1AGTR2LTB4R2BRS3

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