SCHEMBL1728786

SCHEMBL1728786

NC(=O)CN(CCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.40
FFAR4 Q5NUL3 9/20 0.40
SCN9A Q15858 4/20 0.40
AOC3 Q16853 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1727572 0.92 CNR1 (0.41) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1729255 0.90 HTR1A (0.43) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1727605 0.83 DGAT1 (0.44) HTR1ADRD4HTR2ADRD3CKS1B
SCHEMBL1729052 0.82 NPC1 (0.43) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL2407375 0.82 CKS1B (0.40) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1727912 0.82 CNR1 (0.42) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1727546 0.82 HSD11B1 (0.39) DRD2DRD3CKS1BSKP1SKP2
SCHEMBL2407202 0.82 CKS1B (0.40) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL2405880 0.82 CKS1B (0.40) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL1728840 0.79 HTR1A (0.39) HTR1ADRD2HTR7CKS1BSKP1

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