SCHEMBL1727657

SCHEMBL1727657

O=C(O)NCCN1CCN(c2cccc(-c3cccc(Cl)c3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.54
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
FAAH O00519 1/20 0.48
HTR2A P28223 3/20 0.48
HTR1A P08908 2/20 0.48
DRD3 P35462 1/20 0.48
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL1727728 0.89 CNR1 (0.47) CNR1MAPTPOLBKMT2APKM
SCHEMBL1729632 0.85 CNR1 (0.51) CNR1ALDH1A1MAPK1HTR2AHTR1A
SCHEMBL1727960 0.85 DRD4 (0.56) CNR1MAPTALDH1A1LMNAHTR2A
SCHEMBL14797055 0.83 CNR1 (0.53) CNR1FAAH
SCHEMBL1727394 0.82 HTR1A (0.46) CNR1HTR2AHTR1ADRD3HTR2C
SCHEMBL1729393 0.82 CNR2 (0.56) MAPTPOLBKMT2APKMALDH1A1
SCHEMBL1728049 0.80 DRD4 (0.51) CNR1MAPTPOLBALDH1A1LMNA
SCHEMBL1728645 0.80 CNR1 (0.50) CNR1HTR2AHTR1ADRD3HTR2C
SCHEMBL1727643 0.78 CNR1 (0.47) CNR1MAPTKMT2AFAAHHTR2A
SCHEMBL1727718 0.78 CNR1 (0.47) CNR1MAPTKMT2AFAAHHTR2A

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