SCHEMBL9739185

SCHEMBL9739185

CCC(CC)Cn1nc(C(CC)(Oc2ccccc2)Oc2ccccc2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
CNR2 P34972 1/20 0.32

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
SCHEMBL9738205 0.94 AGTR1 (0.36) AGTR1
SCHEMBL9739541 0.93 AGTR1 (0.35) AGTR1CNR2
SCHEMBL9739075 0.91 AGTR1 (0.35) AGTR1CNR2
SCHEMBL9740676 0.90 AGTR1 (0.34) AGTR1CNR2
SCHEMBL9738787 0.90 AGTR1 (0.36) AGTR1
SCHEMBL9738295 0.90 AGTR1 (0.41) AGTR1
SCHEMBL9739537 0.89 AGTR1 (0.35) AGTR1
SCHEMBL9737715 0.89 AGTR1 (0.47) AGTR1
SCHEMBL9738458 0.87 AGTR1 (0.33) AGTR1
SCHEMBL9737987 0.87 AGTR1 (0.33) AGTR1CNR2

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