SCHEMBL9532013

SCHEMBL9532013

C=CCCc1nc(OCC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.41
AGTR2 P50052 6/20 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
SCHEMBL9527522 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529650 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9528786 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9528566 0.88 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9530979 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9527484 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9529701 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9529923 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9552141 0.86 AGTR1 (0.40) AGTR1
SCHEMBL9529394 0.86 AGTR1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed