SCHEMBL7805541

SCHEMBL7805541

CC(NCc1cccc(OC(F)(F)F)c1)C(O)(NCc1cccc(OC(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ CETP P11597 6/20 0.43
▸ CARM1 Q86X55 2/20 0.42
▸ PRMT6 Q96LA8 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ KCNB1 Q14721 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ VNN1 O95497 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ KCNN3 Q9UGI6 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39

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
SCHEMBL14966126 0.81 CETP (0.52) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL13713688 0.81 CARM1 (0.49) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL12932842 0.77 CARM1 (0.50) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL29373647 0.73 PRMT6 (0.59) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL8348536 0.73 PRMT6 (0.59) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL169092 0.72 CARM1 (0.49) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL7805544 0.72 CETP (0.57) MAPK14CETPROCK1ROCK2KDM5A
SCHEMBL22957820 0.72 CARM1 (0.44) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL12963217 0.71 CHRM2 (0.51) MAPK14CETPCARM1PRMT6ROCK1
SCHEMBL1416997 0.71 CETP (0.56) MAPK14CETPCHRM2CHRM1CHRM3

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-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP disclosed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO disclosed
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