SCHEMBL1729052

SCHEMBL1729052

NC(=O)CN(C(=O)O)C1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
CNR1 P21554 1/20 0.42
SCN9A Q15858 5/20 0.41
AOC3 Q16853 1/20 0.41
OPRM1 P35372 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 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
SCHEMBL1730282 0.92 CNR1 (0.43) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1729255 0.84 HTR1A (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1HTR1A
SCHEMBL1728786 0.82 HTR1A (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1HTR1A
SCHEMBL1727489 0.81 DGAT1 (0.44) L3MBTL1HTR1ADRD4HTR2ADRD3
SCHEMBL1727919 0.81 GRIN2D (0.37) DRD2DRD3AOC3CYP1A2HSD11B1
SCHEMBL1730021 0.77 HTR1A (0.41) HTR1ADRD2HTR7AOC3OPRM1
SCHEMBL2328439 0.75 FFAR4 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1SCN9A
SCHEMBL1727912 0.75 CNR1 (0.42) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1730207 0.75 CNR1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1HTR1A
SCHEMBL1727675 0.74 CKS1B (0.53) HTR1ADRD2DRD4HTR2AHTR2C

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