SCHEMBL9738707

SCHEMBL9738707

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
AGTR2 P50052 1/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL9739254 0.95 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9737716 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9738697 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9739068 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9738541 0.90 AGTR1 (0.35) AGTR1
SCHEMBL9738646 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9739655 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9738628 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9552719 0.88 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9738777 0.87 AGTR1 (0.33) 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 1 patent. 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