SCHEMBL10151563

SCHEMBL10151563

O=C(O)c1ccc(OCC(F)(F)F)nc1NCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
CRHR1 P34998 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
KDM4C Q9H3R0 5/20 0.41
HPGDS O60760 1/20 0.40
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
BDKRB1 P46663 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL496086 0.85 CRHR1 (0.43) LIPCLIPGCRHR1TLR7HPGDS
SCHEMBL10151931 0.74 KDM4C (0.49) LIPCLIPGCRHR1TLR7KDM4C
SCHEMBL15635560 0.74 PTGS1 (0.47) LIPCLIPGTLR7KDM4C
SCHEMBL2718820 0.74 L3MBTL1 (0.55) L3MBTL1HPGDSFFAR4KDM4ESCN9A
SCHEMBL2713685 0.72 L3MBTL1 (0.54) L3MBTL1HPGDSKDM4E
SCHEMBL2715161 0.72 L3MBTL1 (0.54) L3MBTL1HPGDSSCN9A
SCHEMBL15350385 0.71 FFAR4 (0.43) LIPGL3MBTL1HPGDSFFAR4SCN9A
SCHEMBL2714146 0.70 POLB (0.65) L3MBTL1HPGDS
SCHEMBL496596 0.70 KDM4C (0.54) LIPCLIPGL3MBTL1KDM4CASPH
SCHEMBL29644352 0.70 L3MBTL1 (0.42) L3MBTL1HPGDSFFAR4KDM4ESCN9A

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-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed