SCHEMBL26050632

SCHEMBL26050632

O=C(NCc1cccc(OC(F)(F)F)c1)NC12CC(C1)C(C(F)(F)F)C2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.52
▸ MAPK14 Q16539 1/20 0.50
▸ ROCK1 Q13464 3/20 0.47
▸ ROCK2 O75116 3/20 0.47
▸ CETP P11597 2/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ NAMPT P43490 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ SCN9A Q15858 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ KDM5A P29375 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ EPHX1 P07099 1/20 0.42

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
SCHEMBL25370259 0.89 EPHX2 (0.61) EPHX2MAPK14ROCK1ROCK2CETP
SCHEMBL26050884 0.88 EPHX2 (0.44) EPHX2MAPK14CACNA1GCACNA1HCACNA1I
SCHEMBL26052204 0.87 EPHX2 (0.43) EPHX2MAPK14MAPK1
SCHEMBL26051452 0.86 EPHX2 (0.49) EPHX2MAPK14ROCK1ROCK2CETP
SCHEMBL26050637 0.83 EPHX2 (0.49) EPHX2MAPK14MAPK1
SCHEMBL25369344 0.82 MAPK14 (0.54) EPHX2MAPK14ROCK1ROCK2CETP
SCHEMBL26050881 0.81 EPHX2 (0.45) EPHX2MAPK1EPHX1
SCHEMBL25370459 0.81 MAPK14 (0.53) EPHX2MAPK14ROCK1ROCK2CETP
SCHEMBL25371803 0.81 MAPK14 (0.53) EPHX2MAPK14ROCK1ROCK2CETP
SCHEMBL30229676 0.81 MAPK14 (0.53) EPHX2MAPK14ROCK1ROCK2CETP

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
WO-2023158584-A1 NEW BICYCLOPENTANE DERIVATIVES ICAGEN, LLC (US) 2023-08-24 — — WO disclosed
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