SCHEMBL13494376

SCHEMBL13494376

CCCNC(=O)N1CCC(c2ccc(C#Cc3ccccc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.51
CHRM2 P08172 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 2/20 0.46
NAMPT P43490 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6248840 0.89 CHRM4 (0.61) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13494375 0.86 CHRM4 (0.54) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13494294 0.84 CHRM4 (0.48) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL1575429 0.77 CHRM4 (0.49) CHRM4CYP2C19DRD2
SCHEMBL12378663 0.77 ADAMTS5 (0.56)
SCHEMBL12279687 0.76
SCHEMBL17117224 0.75 CHRM4 (0.67) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13494374 0.74 CYP2C19 (0.46) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL12319790 0.74 DRD2 (0.55) MEN1KMT2ADRD2DRD3
SCHEMBL12280154 0.73 NAMPT (0.43) KMT2ANAMPT

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-2010017060-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS SCHERING CORPORATION (US) 2010-02-11 WO disclosed