SCHEMBL9534113

SCHEMBL9534113

CCCC1=C(C(F)F)N(CCC(C)C)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.32
AGTR2 P50052 3/20 0.32
PPARG P37231 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
SCHEMBL9534439 0.93 AGTR1 (0.32) AGTR1AGTR2PPARG
SCHEMBL9534146 0.92 AGTR1 (0.31) AGTR1AGTR2PPARG
SCHEMBL9533549 0.91 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9535320 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9530162 0.87 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9531346 0.87 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9533027 0.87 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9530533 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9534123 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9531797 0.85 AGTR1 (0.31) AGTR1AGTR2PPARG

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 4 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 claimed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
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