SCHEMBL15519756

SCHEMBL15519756

CCCC(=O)O[C@H]1CC[C@H](CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
KDM4E B2RXH2 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TACR1 P25103 1/20 0.30
SGMS1 Q86VZ5 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30

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
SCHEMBL15519758 1.00 CETP (0.35) CETPGPBAR1KDM4EPTGDR2TACR1
SCHEMBL2563087 0.92 CETP (0.36) CETPGPBAR1PTGDR2TACR1
SCHEMBL680449 0.88 CETP (0.38) CETPGPBAR1KDM4EPTGDR2TACR1
SCHEMBL680450 0.88 CETP (0.38) CETPGPBAR1KDM4EPTGDR2TACR1
SCHEMBL679435 0.86 GPBAR1 (0.36) CETPGPBAR1PTGDR2TACR1
SCHEMBL679436 0.86 GPBAR1 (0.36) CETPGPBAR1PTGDR2TACR1
SCHEMBL27763797 0.84 TRPM8 (0.35) KDM4E
SCHEMBL680996 0.80 GPBAR1 (0.40) CETPGPBAR1KDM4EPTGDR2
SCHEMBL680997 0.80 GPBAR1 (0.40) CETPGPBAR1KDM4EPTGDR2
SCHEMBL27743154 0.80 KDM4E (0.35) KDM4E

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-2383253-B1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL]CYCLOHEXYL} ACETIC ESTER KOWA CO (JP) 2014-03-19 EP disclosed