SCHEMBL1727728

SCHEMBL1727728

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
FAAH O00519 1/20 0.47
HTR1A P08908 6/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 2/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL1727657 0.89 CNR1 (0.54) CNR1FAAHHTR1AHTR2ADRD3
SCHEMBL1728049 0.86 DRD4 (0.51) CNR1FAAHHTR1AHTR2ADRD3
SCHEMBL1728645 0.86 CNR1 (0.50) CNR1HTR1AHTR2ADRD3DRD2
SCHEMBL1727631 0.83 HTR1A (0.48) HTR1AHTR2ADRD3DRD2DRD4
SCHEMBL14796921 0.83 CHRM4 (0.48) CNR1FAAH
SCHEMBL1729632 0.80 CNR1 (0.51) CNR1HTR1AHTR2ADRD3DRD2
SCHEMBL1727960 0.80 DRD4 (0.56) CNR1HTR1AHTR2ADRD3MAPT
SCHEMBL1729132 0.80 DRD4 (0.52) HTR1AHTR2ADRD3MAPTTP53
SCHEMBL1727394 0.78 HTR1A (0.46) CNR1HTR1AHTR2ADRD3DRD2
SCHEMBL1728979 0.77 HTR1A (0.43) CNR1FAAHHTR1AHTR2ADRD3

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