SCHEMBL9723386

SCHEMBL9723386

CCC(=O)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CC(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
AGTR1 P30556 2/20 0.37
AGTR2 P50052 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
SCHEMBL9553067 0.93 CNR2 (0.39) CNR2AGTR1AGTR2
SCHEMBL9552524 0.91 AGTR1 (0.40) CNR2AGTR1AGTR2
SCHEMBL9723408 0.91 AGTR1 (0.39) AGTR1
SCHEMBL9552321 0.91 CNR2 (0.41) CNR2AGTR1AGTR2
SCHEMBL9553369 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9552717 0.91 CNR2 (0.38) CNR2AGTR1AGTR2
SCHEMBL9553146 0.89 AGTR1 (0.43) AGTR1
SCHEMBL9552966 0.89 CNR2 (0.41) CNR2AGTR1AGTR2
SCHEMBL9553639 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9553159 0.87 TRPV1 (0.36) CNR2AGTR1AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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