SCHEMBL9532142

SCHEMBL9532142

CCCCC1=C(C(F)(F)F)N(C2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 4/20 0.39

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
SCHEMBL9530850 0.95 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9532455 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9533751 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9534114 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9531695 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9530797 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9531268 0.83 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9705092 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9532373 0.82 SLC33A1 (0.35) AGTR1AGTR2
SCHEMBL9705372 0.82 AGTR1 (0.48) 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