SCHEMBL1729026

SCHEMBL1729026

O=C(O)NCCC1CCN(c2cnc3ccccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.59
DRD3 P35462 2/20 0.55
DRD2 P14416 1/20 0.55
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR3A P46098 1/20 0.50
AKR1C3 P42330 1/20 0.50
CHRM2 P08172 2/20 0.48
FAAH O00519 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL3270238 0.84 CHRM4 (0.51) CHRM4DRD3DRD2HTR2AHTR2C
SCHEMBL1728004 0.83 HCAR2 (0.53) CHRM4HTR3A
SCHEMBL3265668 0.82 CHRM4 (0.51) CHRM4DRD3DRD2HTR2AHTR2C
SCHEMBL1728734 0.81 CHRM4 (0.51) CHRM4HTR3ACHRM2
SCHEMBL5800979 0.79 HTR3A (0.58) DRD3DRD2HTR2AHTR2CHTR3A
SCHEMBL1727542 0.79 HRH3 (0.52) DRD3DRD2
SCHEMBL1727780 0.77 CHRM4 (0.52) CHRM4CHRM2
SCHEMBL1729269 0.77 AKR1C3 (0.45) CHRM4DRD3DRD2HTR2AHTR2C
SCHEMBL1730124 0.77 CHRM4 (0.46) CHRM4DRD3DRD2HTR2AHTR2C
SCHEMBL1728813 0.76 SIRT2 (0.51) CHRM4DRD2HTR2C

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