SCHEMBL9738133

SCHEMBL9738133

CCCn1nc(C(CCC)(Oc2ccccc2)Oc2ccccc2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42

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
SCHEMBL9740616 0.95 AGTR1 (0.48) AGTR1
SCHEMBL9738295 0.94 AGTR1 (0.41) AGTR1
SCHEMBL9737795 0.92 AGTR1 (0.37) AGTR1
SCHEMBL9552190 0.91 AGTR1 (0.43) AGTR1
SCHEMBL9738628 0.91 AGTR1 (0.42) AGTR1
SCHEMBL9738205 0.90 AGTR1 (0.36) AGTR1
SCHEMBL9739416 0.90 AGTR1 (0.43) AGTR1
SCHEMBL9739390 0.90 AGTR1 (0.43) AGTR1
SCHEMBL9737715 0.89 AGTR1 (0.47) AGTR1
SCHEMBL9739068 0.88 AGTR1 (0.42) AGTR1

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
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 claimed
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