SCHEMBL9704900

SCHEMBL9704900

CCCCN1CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(CCC(C)C)=C1C(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.33
AGTR2 P50052 6/20 0.33
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
SCHEMBL9530926 0.98 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9531797 0.95 AGTR1 (0.31) AGTR1AGTR2PPARG
SCHEMBL9533027 0.94 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9534146 0.92 AGTR1 (0.31) AGTR1AGTR2PPARG
SCHEMBL9705501 0.92 AGTR1 (0.30) AGTR1AGTR2PPARG
SCHEMBL9532007 0.90 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9533549 0.90 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9531528 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9534439 0.87 AGTR1 (0.32) AGTR1AGTR2PPARG
SCHEMBL9533914 0.86 AGTR1 (0.32) 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-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed