SCHEMBL13494375

SCHEMBL13494375

CCCNC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.54
CYP2C19 P33261 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP3 P08254 1/20 0.49
CCR1 P32246 2/20 0.48
NAMPT P43490 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD11B1 P28845 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KIT P10721 1/20 0.46

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 0.92 CHRM4 (0.61) CHRM4CYP2C19CHRM2CHRM5CHRM1
SCHEMBL13494376 0.86 CHRM4 (0.51) CHRM4CYP2C19CHRM2CHRM5CHRM1
SCHEMBL1575429 0.80 CHRM4 (0.49) CHRM4CYP2C19NPC1RAB9ADRD2
SCHEMBL17117224 0.77 CHRM4 (0.67) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13494374 0.77 CYP2C19 (0.46) CHRM4CYP2C19CHRM2CHRM5CHRM1
SCHEMBL6167382 0.76 MEN1 (0.46) MEN1KMT2ANAMPT
SCHEMBL596585 0.75 POLB (0.48) CHRM4MEN1CYP2C9KMT2ANAMPT
SCHEMBL4029855 0.75 PRMT5 (0.58) CHRM4KMT2ANPC1RAB9AHSD11B1
SCHEMBL1193794 0.74 CHRM4 (0.57) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL19187793 0.74 NPC1 (0.53) MEN1KMT2ACCR1NPC1RAB9A

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