SCHEMBL1728979

SCHEMBL1728979

NC(=O)CN(CCN1CCN(c2cccc(-c3ccc(Cl)cc3)n2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
CNR1 P21554 5/20 0.41
FAAH O00519 1/20 0.41
CASR P41180 1/20 0.38
AOC3 Q16853 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
NOS1 P29475 4/20 0.37
NOS3 P29474 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CNR2 P34972 1/20 0.36
RAD52 P43351 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL1727643 0.90 CNR1 (0.47) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1729806 0.88 CNR1 (0.44) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1728853 0.88 CNR1 (0.44) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1727691 0.88 CNR1 (0.41) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1728079 0.86 DRD2 (0.42) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1729843 0.82 CNR1 (0.44) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1730286 0.82 CNR1 (0.44) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1729147 0.82 MGLL (0.43) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1727992 0.81 CASR (0.41) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1727718 0.79 CNR1 (0.47) HTR1ADRD2DRD4HTR2AHTR2C

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