SCHEMBL9530491

SCHEMBL9530491

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
GRM2 Q14416 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL9705110 0.90 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9531633 0.90 AGTR1 (0.32) AGTR1AGTR2GRM2
SCHEMBL9531530 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9531333 0.88 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9532201 0.87 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9532007 0.85 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9530228 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9705474 0.82 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9530075 0.82 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9533032 0.82 AGTR1 (0.33) AGTR1AGTR2GRM2

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