SCHEMBL1728845

SCHEMBL1728845

CNC(=O)CN(CCN1CCN(c2cccc(-c3cccc(C#N)c3)n2)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.45
MCHR1 Q99705 8/20 0.41
CASR P41180 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
CTSA P10619 1/20 0.38
RAD52 P43351 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL1727866 0.91 CNR1 (0.44) CNR1MCHR1CASRHTR1ADRD2
SCHEMBL1729843 0.89 CNR1 (0.44) CNR1MCHR1CASRPIM1PIM2
SCHEMBL1727718 0.87 CNR1 (0.47) CNR1PIM1PIM2HTR1ADRD2
SCHEMBL1728914 0.86 MCHR1 (0.44) MCHR1CASRHTR1ADRD4HTR2A
SCHEMBL1727730 0.85 MAPT (0.46) CNR1CASRPIM1PIM2DRD2
SCHEMBL1727872 0.83 CASR (0.42) CNR1MCHR1CASRPIM1PIM2
SCHEMBL1727691 0.83 CNR1 (0.41) CNR1CASRHTR1ADRD2DRD4
SCHEMBL1730370 0.82 CNR1 (0.44) CNR1CASRHTR1ADRD2DRD4
SCHEMBL1728853 0.80 CNR1 (0.44) CNR1MCHR1CASRHTR1ADRD2
SCHEMBL1729330 0.80 MCHR1 (0.41) MCHR1CASRHTR1ADRD2DRD4

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