SCHEMBL9738700

SCHEMBL9738700

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

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
SLC33A1 O00400 1/20 0.36

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
SCHEMBL9738435 0.95 SLC33A1 (0.37) AGTR1SLC33A1
SCHEMBL9738544 0.92 SLC33A1 (0.38) AGTR1SLC33A1
SCHEMBL9737852 0.91 AGTR1 (0.44) AGTR1
SCHEMBL9738893 0.91 AGTR1 (0.47) AGTR1
SCHEMBL9738675 0.89 SLC33A1 (0.36) AGTR1SLC33A1
SCHEMBL9738672 0.88 AGTR1 (0.38) AGTR1
SCHEMBL9739973 0.88 AGTR1 (0.47) AGTR1
SCHEMBL9738616 0.86 SLC33A1 (0.36) AGTR1SLC33A1
SCHEMBL9738918 0.86 SLC33A1 (0.34) AGTR1SLC33A1
SCHEMBL9738567 0.86 AGTR1 (0.41) 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