SCHEMBL27614751

SCHEMBL27614751

CN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3F)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 16/20 0.72
CHRM5 P08912 1/20 0.72
DRD5 P21918 1/20 0.72
HTR1D P28221 1/20 0.72
HTR1E P28566 1/20 0.72
HTR7 P34969 1/20 0.72
OPRK1 P41145 1/20 0.72
TMEM97 Q5BJF2 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
HTR1A P08908 2/20 0.56
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAP3K5 Q99683 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL30730002 0.89 HTR1F (0.85) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2537137 0.89 HTR1F (0.85) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30909255 0.88 HTR1F (0.74) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2537605 0.88 HTR1F (0.74) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2537931 0.88 HTR1F (0.77) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30908910 0.88 HTR1F (0.77) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30908824 0.88 HTR1F (0.74) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2537908 0.88 HTR1F (0.74) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2535191 0.88 HTR1F (0.66) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2535869 0.88 HTR1F (0.66) HTR1FCHRM5DRD5HTR1DHTR1E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753171-A Compositions of 2,4, 6-trifluoro-N- [6- (1-methyl-piperidine-4-carbonyl) -pyridin-2-yl ] -benzamide COLUCID PHARMACEUTICALS INC 2012-10-24 CN claimed
CN-102753171-A Compositions of 2,4, 6-trifluoro-N- [6- (1-methyl-piperidine-4-carbonyl) -pyridin-2-yl ] -benzamide COLUCID PHARMACEUTICALS INC 2012-10-24 CN disclosed
CN-100352817-C Pyridinoylpiperidines as 5-HTLF agonists LILLY CO ELI (US) 2007-12-05 CN disclosed
CN-1642939-A As 5-HT1FPyridylpiperidines as agonists LILLY CO ELI (US) 2005-07-20 CN disclosed