SCHEMBL9738725

SCHEMBL9738725

CCCCn1nc(C(CC)(OCCC)OCCC)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
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
SCHEMBL9738097 0.95 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9738349 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9738186 0.94 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9552684 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9739610 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9738681 0.91 AGTR1 (0.38) AGTR1
SCHEMBL9738065 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9737715 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9553520 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9738799 0.90 AGTR1 (0.42) 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 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