SCHEMBL15519679

SCHEMBL15519679

CCOC(=O)CC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)ccc2Cl)c2ncn(C)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
CCRL2 O00421 1/20 0.36
CRHR1 P34998 5/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LTC4S Q16873 2/20 0.34
MAPT P10636 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL681076 0.90 CETP (0.35) KDM4ECCRL2L3MBTL1PTGDR2
SCHEMBL681075 0.90 CETP (0.35) KDM4ECCRL2L3MBTL1PTGDR2
SCHEMBL679434 0.90 KDM4E (0.36) KDM4ECCRL2CRHR1L3MBTL1PTGDR2
SCHEMBL679433 0.90 KDM4E (0.36) KDM4ECCRL2CRHR1L3MBTL1PTGDR2
SCHEMBL15519680 0.84 PTGDR2 (0.34) KDM4ECCRL2L3MBTL1PTGDR2LTC4S
SCHEMBL15519681 0.84 PTGDR2 (0.34) KDM4ECCRL2L3MBTL1PTGDR2LTC4S
SCHEMBL681081 0.82 KDM4E (0.37) KDM4ECRHR1L3MBTL1PTGDR2MEN1
SCHEMBL681080 0.82 KDM4E (0.37) KDM4ECRHR1L3MBTL1PTGDR2MEN1
SCHEMBL680412 0.81 CETP (0.33) PTGDR2
SCHEMBL680413 0.81 CETP (0.33) PTGDR2

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