SCHEMBL1727675

SCHEMBL1727675

O=C(O)NCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 12/20 0.53
SKP1 P63208 12/20 0.53
SKP2 Q13309 12/20 0.53
CNR1 P21554 1/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
VCP P55072 2/20 0.43
SCN9A Q15858 2/20 0.43
DKK1 O94907 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL1728686 0.91 CKS1B (0.54) CKS1BSKP1SKP2CNR1ALDH1A1
SCHEMBL1710740 0.89 CHRM4 (0.48) CKS1BSKP1SKP2CNR1HTR1A
SCHEMBL16286410 0.84 CKS1B (0.47) CKS1BSKP1SKP2CNR1
SCHEMBL3266878 0.84 CKS1B (0.45) CKS1BSKP1SKP2CNR1HTR1A
SCHEMBL1730207 0.83 CNR1 (0.50) CKS1BSKP1SKP2CNR1HTR1A
SCHEMBL1710840 0.80 HTR1A (0.47) CKS1BSKP1SKP2CNR1HTR1A
SCHEMBL14797005 0.80 FFAR4 (0.46) CKS1BSKP1SKP2CNR1
SCHEMBL1729030 0.80 CKS1B (0.55) CKS1BSKP1SKP2HTR1ADRD4
SCHEMBL1728924 0.80 CNR1 (0.47) CKS1BSKP1SKP2CNR1
SCHEMBL16286335 0.79 CKS1B (0.44) CKS1BSKP1SKP2HTR2AHTR2C

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