SCHEMBL11036085

SCHEMBL11036085

CC1CCC(C(C)(C)ON([C]=O)c2ccccc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.31
GLA P06280 1/20 0.31
ACHE P22303 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL1335024 0.67 KMT2A (0.38) GLA
SCHEMBL15299050 0.66 CHRM3 (0.37) GAACHRM4CHRM1CHRM3
SCHEMBL14628673 0.66 ALDH1A1 (0.42) CYP2C9CYP2C19GAAGLAACHE
SCHEMBL1028910 0.65
SCHEMBL3246276 0.65 NPSR1 (0.39) CYP2C9CYP2C19GLA
SCHEMBL6002568 0.65 TACR1 (0.30)
SCHEMBL16191309 0.64 CYP2C9 (0.44) CYP2C9CYP2C19GLAACHECHRM3
SCHEMBL16360933 0.64 PKM (0.39) GAACHRM4CHRM1CHRM3
SCHEMBL17704661 0.63 ACHE (0.38) CYP2C9CYP2C19GAAACHE
SCHEMBL26191606 0.63 ACHE (0.38) CYP2C9CYP2C19GAAACHE

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
JP-59046270-A None JP disclosed
JP-S5946270-A OMEGA-PYRIDYLOXYALKYL DERIVATIVE AND ITS PREPARATION YAMANOUCHI PHARMACEUT CO LTD 1984-03-15 JP disclosed