SCHEMBL1727643

SCHEMBL1727643

NC(=O)CN(CCN1CCN(c2cccc(-c3cccc(Cl)c3)n2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.47
RAD52 P43351 2/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
FAAH O00519 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39

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
SCHEMBL1728979 0.90 HTR1A (0.43) CNR1RAD52HTR1ADRD2HTR2A
SCHEMBL1727718 0.88 CNR1 (0.47) CNR1RAD52HTR1ADRD2HTR2A
SCHEMBL1730286 0.86 CNR1 (0.44) CNR1RAD52HTR1ADRD2HTR2A
SCHEMBL1729843 0.86 CNR1 (0.44) CNR1RAD52HTR1ADRD2HTR2A
SCHEMBL1727992 0.85 CASR (0.41) CNR1RAD52HTR1ADRD2HTR2A
SCHEMBL1727880 0.84 CNR2 (0.50) HTR1ADRD2HTR2AHTR7DRD4
SCHEMBL1728853 0.82 CNR1 (0.44) CNR1HTR1ADRD2HTR2AHTR7
SCHEMBL1729806 0.82 CNR1 (0.44) CNR1HTR1ADRD2HTR2AHTR7
SCHEMBL1728079 0.81 DRD2 (0.42) HTR1ADRD2HTR2AHTR7DRD4
SCHEMBL1727691 0.79 CNR1 (0.41) CNR1HTR1ADRD2HTR2AHTR7

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