SCHEMBL1728045

SCHEMBL1728045

CNC(=O)CN(CCN1CCN(c2cccc3ccccc23)CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD3 P35462 5/20 0.52
HTR1A P08908 4/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
DRD4 P21917 3/20 0.48
HTR7 P34969 3/20 0.48
FAAH O00519 1/20 0.44
CNR1 P21554 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
SCHEMBL1727882 0.94 DRD2 (0.55) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL1727889 0.77 HTR2A (0.51) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL239772 0.74 DRD4 (0.58) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL1727691 0.73 CNR1 (0.41) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL1728577 0.73 DRD2 (0.67) DRD2DRD3HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL237609 0.73 DRD4 (0.57) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL12229473 0.72 DRD3 (0.61) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL1729971 0.72 CYP11B2 (0.42) DRD2HTR1AHTR2AHTR7
SCHEMBL1730370 0.72 CNR1 (0.44) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL1727718 0.72 CNR1 (0.47) DRD2DRD3HTR1AHTR2AHTR2C

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