SCHEMBL1729393

SCHEMBL1729393

O=C(O)NCCN1CCN(c2ccc(-c3cccc(Cl)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
DRD4 P21917 3/20 0.53
MGLL Q99685 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
DYRK3 O43781 1/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
DRD2 P14416 1/20 0.46
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 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
SCHEMBL1729132 0.88 DRD4 (0.52) DRD4MGLLMAPTEGLN1DRD2
SCHEMBL1727411 0.85 DRD4 (0.47) DRD4KMT2AEGLN1ALDH1A1DRD2
SCHEMBL1728732 0.85 DRD4 (0.62) DRD4MAPTEGLN1DRD2DRD3
SCHEMBL2329208 0.84 CNR2 (0.54) CNR2MGLLEGLN1
SCHEMBL1728735 0.82 DRD4 (0.49) DRD4DYRK1AHTR2ASLC6A4HTR1A
SCHEMBL1727657 0.82 CNR1 (0.54) MAPTPOLBKMT2APKMALDH1A1
SCHEMBL1727732 0.79 CD274 (0.50) DRD4EGLN1HTR2ASLC6A4HTR1A
SCHEMBL1729537 0.79 DRD4 (0.55) DRD4POLBEGLN1LMNA
SCHEMBL1727880 0.79 CNR2 (0.50) CNR2DRD4MGLLKMT2AEGLN1
SCHEMBL1729825 0.78 CNR2 (0.47) CNR2DRD4MGLLEGLN1DYRK3

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