SCHEMBL1728774

SCHEMBL1728774

O=C(O)NCCC1CCN(c2ccc3ccc(Cl)cc3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
PDE10A Q9Y233 3/20 0.48
SCD O00767 2/20 0.46
PDE2A O00408 1/20 0.43
CHRM4 P08173 7/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 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
SCHEMBL346050 0.92 HRH3 (0.56) HRH3HTR3APDE10ASCDCHRM4
SCHEMBL1722961 0.87 PDE10A (0.48) HRH3PDE10ASCDPDE2ACHRM4
SCHEMBL1727542 0.85 HRH3 (0.52) HRH3PDE10APDE2A
SCHEMBL3268726 0.84 HRH3 (0.45) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL1730076 0.83 CHRM4 (0.46) SCDCHRM4MAOAMAOBDGAT1
SCHEMBL3268730 0.82 FAAH (0.46) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL1728730 0.81 MAOA (0.55) PDE10ACHRM4MAOAMAOBCHRM2
SCHEMBL345345 0.81 HRH3 (0.50) HRH3PDE10ASCDPDE2ACHRM4
SCHEMBL1728843 0.81 P2RX7 (0.46) CHRM4
SCHEMBL1728851 0.81 HRH3 (0.58) HRH3HTR3APDE10ADGAT1KCNH2

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