SCHEMBL1729014

SCHEMBL1729014

O=C(O)NCCC1CCN(c2ccnc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD3 P35462 6/20 0.52
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
PDGFRB P09619 1/20 0.47
HTR2A P28223 3/20 0.47
HTR1A P08908 2/20 0.47
DRD4 P21917 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
CHRM4 P08173 2/20 0.46
KCNH2 Q12809 1/20 0.46
IDO1 P14902 1/20 0.45
DRD1 P21728 1/20 0.45
F10 P00742 1/20 0.44
AKT1 P31749 1/20 0.43

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
SCHEMBL18980470 0.88 DRD2 (0.52) DRD2DRD3ADRB2NCF1PDGFRB
SCHEMBL3266253 0.84 SIRT2 (0.48) DRD2DRD3SIRT2SIRT1SIRT3
SCHEMBL21034183 0.82 ADRB2 (0.53) DRD2DRD3ADRB2NCF1PDGFRB
SCHEMBL3265695 0.82 SIRT2 (0.45) DRD2DRD3SIRT2SIRT1SIRT3
SCHEMBL20771438 0.81 NCF1 (0.54) SIRT2SIRT1SIRT3NCF1PDGFRB
SCHEMBL14797012 0.81 HTR1A (0.46) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL1728813 0.81 SIRT2 (0.51) DRD2SIRT2SIRT1SIRT3DRD4
SCHEMBL28664473 0.80 ADRB2 (0.51) DRD2DRD3ADRB2NCF1PDGFRB
SCHEMBL22291150 0.79 ENPP1 (0.54) DRD2DRD3ADRB2NCF1HTR2A
SCHEMBL31429462 0.79 ENPP1 (0.54) DRD2DRD3ADRB2NCF1HTR2A

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