SCHEMBL4715512

SCHEMBL4715512

CN(CCc1ccc(OC(F)(F)F)cc1)C1CN(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 4/20 0.48
DAGLA Q9Y4D2 4/20 0.46
DAGLB Q8NCG7 3/20 0.46
CHRM4 P08173 3/20 0.44
CCR5 P51681 2/20 0.44
DDHD2 O94830 1/20 0.43
MCHR1 Q99705 1/20 0.43
LSS P48449 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL4715365 0.82 AGTR2 (0.47) CHRM4MCHR1L3MBTL1
SCHEMBL1971365 0.81 SLC6A4 (0.54) SLC6A4SLC6A3DAGLADAGLBCHRM4
SCHEMBL4716374 0.76 CCR5 (0.42) CCR5L3MBTL1TDP1HRH3
SCHEMBL3320631 0.76 CCR5 (0.43) CHRM4CCR5MCHR1L3MBTL1TDP1
SCHEMBL27144034 0.74 CARM1 (0.49) HRH3
SCHEMBL16963832 0.72 ENPP2 (0.48) HRH3
SCHEMBL5667997 0.71 SLC6A4 (0.58) SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL8508484 0.70 SLC6A4 (0.57) SLC6A4SLC6A3HRH3
SCHEMBL4711078 0.69 L3MBTL1 (0.42) L3MBTL1TDP1
SCHEMBL29056938 0.69 L3MBTL1 (0.66) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed