SCHEMBL49169

SCHEMBL49169

c1ccc(CC2(c3ccccc3)CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.59
SLC6A4 P31645 4/20 0.56
SLC6A2 P23975 3/20 0.56
SLC6A3 Q01959 3/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5267941 0.98 DPP4 (0.61) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL10606332 0.94 DPP4 (0.55) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL9618804 0.87 ADRB2 (0.50) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL29386486 0.87 SLC6A3 (0.59) DPP4SLC6A4SLC6A2SLC6A3
SCHEMBL9741797 0.82 MAOA (0.45) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL367356 0.82 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1169437 0.81 DPP4 (0.43) DPP4SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL20543239 0.77 DPP4 (0.61) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL8170334 0.77 DPP4 (0.61) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL5853830 0.77 SLC6A4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101938902-B Benzylphenylcyclohexane derivatives and methods of use THERACOS INC 2014-07-02 CN disclosed
CN-101938902-B Benzylphenylcyclohexane derivatives and methods of use THERACOS INC 2014-07-02 CN disclosed
US-8129434-B2 Benzylphenyl cyclohexane derivatives and methods of use THERACOS, INC. (US) 2012-03-06 US disclosed
CN-101938902-A Benzylphenylcyclohexane derivatives and methods of use THERACOS INC 2011-01-05 CN disclosed
CN-101938902-A Benzylphenylcyclohexane derivatives and methods of use THERACOS INC 2011-01-05 CN disclosed
CN-1297034-C Nonaqueous electrolyte and secondary cell using the same NIPPON STEEL CHEMICAL CO (JP) 2007-01-24 CN disclosed
CN-1643725-A Nonaqueous electrolyte solution and secondary battery using same NIPPON STEEL CHEMICAL CO (JP) 2005-07-20 CN disclosed