SCHEMBL1730076

SCHEMBL1730076

O=C(O)NCCC1CCN(c2cc3cc(Cl)ccc3cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 13/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SCD O00767 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.41
DGAT1 O75907 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1728734 0.87 CHRM4 (0.51) CHRM4CHRM2CHRM1
SCHEMBL1728885 0.85 CHRM4 (0.53) CHRM4
SCHEMBL1728730 0.84 MAOA (0.55) CHRM4MAOAMAOBCHRM2CHRM1
SCHEMBL346050 0.84 HRH3 (0.56) CHRM4MAOAMAOBSCD
SCHEMBL3266255 0.83 FAAH (0.44) CHRM4MAOAMAOBSCDCHRM2
SCHEMBL1728774 0.83 HRH3 (0.55) CHRM4MAOAMAOBSCDCHRM2
SCHEMBL1727780 0.81 CHRM4 (0.52) CHRM4MAOAMAOBCHRM2CHRM1
SCHEMBL1728738 0.81 CHRM4 (0.50) CHRM4MAOAMAOBCHRM2CHRM1
SCHEMBL1727743 0.79 SIRT2 (0.50) CHRM4MAOAMAOBCHRM1
SCHEMBL1730265 0.79 SIRT2 (0.50) CHRM4MAOAMAOBCHRM1

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed