SCHEMBL1730286

SCHEMBL1730286

COc1cccc(-c2cccc(N3CCN(CCN(CC(N)=O)C(=O)O)CC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.42
DRD4 P21917 4/20 0.42
DRD2 P14416 2/20 0.42
RAD52 P43351 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HTR1A P08908 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
WNK1 Q9H4A3 1/20 0.40
NEK2 P51955 1/20 0.40

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
SCHEMBL1729806 0.91 CNR1 (0.44) CNR1MAPTLMNAALDH1A1HSD17B10
SCHEMBL1727730 0.90 MAPT (0.46) CNR1MAPTLMNAALDH1A1HPGD
SCHEMBL1727992 0.90 CASR (0.41) CNR1DRD4DRD2RAD52PIM1
SCHEMBL1727643 0.86 CNR1 (0.47) CNR1MAPTSMN1; SMN2DRD4DRD2
SCHEMBL1730270 0.85 EGLN1 (0.47) DRD4DRD2HTR1AHTR2ADRD3
SCHEMBL1729843 0.84 CNR1 (0.44) CNR1DRD4DRD2RAD52PIM1
SCHEMBL1728979 0.82 HTR1A (0.43) CNR1DRD4DRD2RAD52HTR1A
SCHEMBL1728079 0.82 DRD2 (0.42) DRD4DRD2HTR1AHTR2AHTR2C
SCHEMBL1727872 0.80 CASR (0.42) CNR1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1730370 0.80 CNR1 (0.44) CNR1MAPTLMNAALDH1A1HSD17B10

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