SCHEMBL1727631

SCHEMBL1727631

O=C(O)NCCN1CCN(c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
CHRM4 P08173 2/20 0.46
SUCNR1 Q9BXA5 1/20 0.44
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
MCHR1 Q99705 1/20 0.43
ABL1 P00519 4/20 0.42
BCR P11274 1/20 0.42
ACP1 P24666 1/20 0.42
EPHX2 P34913 1/20 0.41
TGM2 P21980 1/20 0.41
KCNA5 P22460 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 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
SCHEMBL1727394 0.90 HTR1A (0.46) HTR1ACHRM4HTR2ADRD3DRD2
SCHEMBL1728049 0.87 DRD4 (0.51) HTR1AHTR2ADRD3DRD2DRD4
SCHEMBL1727728 0.83 CNR1 (0.47) HTR1AHTR2ADRD3DRD2DRD4
SCHEMBL1727526 0.82 HRH2 (0.47) HTR1ACHRM4HTR2ADRD3DRD4
SCHEMBL1728645 0.81 CNR1 (0.50) HTR1AHTR2ADRD3DRD2DRD4
SCHEMBL1728079 0.81 DRD2 (0.42) HTR1ASUCNR1HTR2ADRD3SCN10A
SCHEMBL1729330 0.80 MCHR1 (0.41) HTR1ASUCNR1HTR2ADRD3SCN10A
SCHEMBL1727960 0.79 DRD4 (0.56) HTR1AHTR2ADRD3DRD2DRD4
SCHEMBL1728735 0.78 DRD4 (0.49) HTR1ACHRM4HTR2ADRD3DRD4
SCHEMBL1727657 0.78 CNR1 (0.54) HTR1AHTR2ADRD3HTR2C

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