SCHEMBL9531333

SCHEMBL9531333

CC(C)CCC1=C(C(F)(F)F)N(CC(C)C)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL9530075 0.93 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9530576 0.93 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9531866 0.92 HSD11B1 (0.33) AGTR1AGTR2
SCHEMBL9532561 0.90 HSD11B1 (0.35) AGTR1AGTR2
SCHEMBL9532756 0.89 HSD11B1 (0.37) AGTR1AGTR2
SCHEMBL9534380 0.88 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9530162 0.88 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9530491 0.88 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9531268 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9705053 0.86 AGTR1 (0.34) 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
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed