SCHEMBL9533549

SCHEMBL9533549

CCCCCN1CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(CCC(C)C)=C1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.35
AGTR2 P50052 6/20 0.35
PPARG P37231 2/20 0.34
PLA2G2A P14555 2/20 0.34
HSD11B1 P28845 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
SCHEMBL9534439 0.94 AGTR1 (0.32) AGTR1AGTR2PPARG
SCHEMBL9530926 0.92 AGTR1 (0.34) AGTR1AGTR2PPARGPLA2G2AHSD11B1
SCHEMBL9534113 0.91 AGTR1 (0.32) AGTR1AGTR2PPARG
SCHEMBL9704900 0.90 AGTR1 (0.33) AGTR1AGTR2PPARG
SCHEMBL9532756 0.88 HSD11B1 (0.37) AGTR1AGTR2PPARGPLA2G2AHSD11B1
SCHEMBL9705474 0.87 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9530533 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9531797 0.86 AGTR1 (0.31) AGTR1AGTR2PPARG
SCHEMBL9532561 0.85 HSD11B1 (0.35) AGTR1AGTR2PPARGHSD11B1
SCHEMBL9705074 0.85 AGTR1 (0.33) 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 3 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
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed