SCHEMBL1727872

SCHEMBL1727872

CNC(=O)CN(CCN1CCN(c2cccc(-c3cccc(OC(F)(F)F)c3)n2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
ACP1 P24666 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
OPRM1 P35372 1/20 0.39
MCHR1 Q99705 1/20 0.38
TRPA1 O75762 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR1 P21554 2/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL1729330 0.92 MCHR1 (0.41) CASRACP1DRD2DRD3HTR1A
SCHEMBL1727730 0.91 MAPT (0.46) CASRDRD2DRD4CNR1PIM1
SCHEMBL1727992 0.89 CASR (0.41) CASRIRAK4ACP1DRD2DRD3
SCHEMBL1729203 0.86 GRIN1 (0.42) CASRDRD3HTR1ADRD4HTR2A
SCHEMBL1727718 0.85 CNR1 (0.47) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1730370 0.84 CNR1 (0.44) CASRDRD2DRD3HTR1ADRD4
SCHEMBL1728845 0.83 CNR1 (0.45) CASRDRD2DRD3HTR1ADRD4
SCHEMBL1727691 0.82 CNR1 (0.41) CASRDRD2DRD3HTR1ADRD4
SCHEMBL1727394 0.81 HTR1A (0.46) IRAK4ACP1DRD2DRD3HTR1A
SCHEMBL1728079 0.80 DRD2 (0.42) CASRACP1DRD2DRD3HTR1A

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