SCHEMBL9532181

SCHEMBL9532181

CC1=C(CCC(C)C)N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CN1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.33
AGTR2 P50052 4/20 0.33
BRS3 P32247 1/20 0.33
AKT1 P31749 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL9531741 0.91 AGTR1 (0.33) AGTR1AGTR2BRS3AKT1CACNA1G
SCHEMBL9533032 0.90 AGTR1 (0.33) AGTR1AGTR2BRS3CACNA1GCACNA1H
SCHEMBL9705208 0.88 AGTR1 (0.33) AGTR1AGTR2BRS3CACNA1GCACNA1H
SCHEMBL9532052 0.88 BRS3 (0.38) AGTR1AGTR2BRS3
SCHEMBL9530491 0.81 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9534439 0.81 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9531633 0.80 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9531866 0.80 HSD11B1 (0.33) AGTR1AGTR2
SCHEMBL9531333 0.80 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9530075 0.80 AGTR1 (0.31) 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