SCHEMBL9705048

SCHEMBL9705048

CC(C)CCC1=C(C=O)N(CC2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.34
AGTR2 P50052 2/20 0.34
SLC33A1 O00400 1/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
BRS3 P32247 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
SCHEMBL9704954 0.89 AGTR1 (0.34) AGTR1AGTR2SLC33A1TMEM97SIGMAR1
SCHEMBL9532075 0.88 AGTR1 (0.33) AGTR1AGTR2TMEM97SIGMAR1BRS3
SCHEMBL9531406 0.87 BRS3 (0.37) AGTR1AGTR2TMEM97SIGMAR1BRS3
SCHEMBL9705208 0.86 AGTR1 (0.33) AGTR1AGTR2BRS3
SCHEMBL9530841 0.84 AGTR1 (0.44) AGTR1AGTR2SLC33A1
SCHEMBL9530681 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9532201 0.80 AGTR1 (0.33) AGTR1AGTR2SLC33A1
SCHEMBL9535036 0.80 AGTR1 (0.37) AGTR1AGTR2SLC33A1BRS3
SCHEMBL9554414 0.79 AGTR2 (0.39) AGTR1AGTR2SLC33A1
SCHEMBL7830100 0.78 AGTR1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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