SCHEMBL2563087

SCHEMBL2563087

CCN(CC1CCC(OC(C)=O)CC1)c1ncc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
TACR1 P25103 1/20 0.31
LTC4S Q16873 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL15519756 0.92 CETP (0.35) CETPGPBAR1TACR1PTGDR2
SCHEMBL15519758 0.92 CETP (0.35) CETPGPBAR1TACR1PTGDR2
SCHEMBL680450 0.88 CETP (0.38) CETPGPBAR1TACR1LTC4SPTGDR2
SCHEMBL680449 0.88 CETP (0.38) CETPGPBAR1TACR1LTC4SPTGDR2
SCHEMBL679435 0.88 GPBAR1 (0.36) CETPGPBAR1TACR1PTGDR2HTR1A
SCHEMBL679436 0.88 GPBAR1 (0.36) CETPGPBAR1TACR1PTGDR2HTR1A
SCHEMBL680997 0.82 GPBAR1 (0.40) CETPGPBAR1LTC4SPTGDR2
SCHEMBL680996 0.82 GPBAR1 (0.40) CETPGPBAR1LTC4SPTGDR2
SCHEMBL680559 0.81 GPBAR1 (0.44) CETPGPBAR1TACR1PTGDR2
SCHEMBL680558 0.81 GPBAR1 (0.44) CETPGPBAR1TACR1PTGDR2

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-2383253-B1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL]CYCLOHEXYL} ACETIC ESTER KOWA CO (JP) 2014-03-19 EP disclosed
EP-2383253-A1 METHOD FOR MANUFACTURING TRANS-{4-Ý(ALKYL AMINO) METHYL¨CYCLOHEXYL} ACETIC ESTER Kowa Company, Ltd. (JP) 2011-11-02 EP disclosed