SCHEMBL19292007

SCHEMBL19292007

O=CCCCCCCc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
NPY5R Q15761 1/20 0.41
PDE10A Q9Y233 3/20 0.39
SCN10A Q9Y5Y9 3/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
COMT P21964 1/20 0.36
SSTR3 P32745 1/20 0.35

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
SCHEMBL19292150 0.85 PDE10A (0.46) NPY5RPDE10A
SCHEMBL19292508 0.83 PDE10A (0.55) PDE10A
SCHEMBL19291976 0.81 PDE10A (0.43) PDE10ASCN10AS1PR1S1PR4S1PR3
SCHEMBL19292422 0.80 PDE10A (0.42) PDE10AS1PR1S1PR4S1PR3S1PR5
SCHEMBL19292461 0.80 SCN10A (0.49) NPY5RPDE10ASCN10ACCNB2CDK1
SCHEMBL19292239 0.80 HDAC1 (0.42) PDE10ASCN10AS1PR1S1PR4S1PR3
SCHEMBL19292339 0.80 PDE10A (0.41) PDE10A
SCHEMBL19292031 0.79 S1PR1 (0.35) PDE10ASCN10AS1PR1S1PR4S1PR3
SCHEMBL19292412 0.78 PDE10A (0.37) PDE10AS1PR1S1PR4S1PR5
SCHEMBL19291980 0.78 PDE10A (0.37) PDE10ASCN10A

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-2914589-B1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S P A (IT) 2017-08-30 EP disclosed