SCHEMBL27680758

SCHEMBL27680758

C[C@@]1(c2ccc(OC(F)(F)F)cc2)CNCCN1C(=O)C(O)C(O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A2 P23975 2/20 0.37
EPHX1 P07099 1/20 0.35
HRH3 Q9Y5N1 5/20 0.35
AMPD2 Q01433 1/20 0.34
HSD11B1 P28845 2/20 0.34
OPRL1 P41146 1/20 0.34
EPHX2 P34913 2/20 0.33
CHRM5 P08912 1/20 0.33
LIPE Q05469 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
SCHEMBL5449428 0.79 FPR2 (0.39) SLC6A4SLC6A3SLC6A2HRH3AMPD2
SCHEMBL5337780 0.78 MMP8 (0.41) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL5474229 0.78 CTSS (0.37) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL5338202 0.76 CTSS (0.36) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL5337131 0.72 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2HRH3
SCHEMBL5412391 0.71 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2HRH3HSD11B1
SCHEMBL5379847 0.69 MMP2 (0.41)
SCHEMBL5337143 0.68 MMP14 (0.35) SLC6A4SLC6A3SLC6A2HRH3EPHX2
SCHEMBL5450417 0.68 MMP2 (0.39) LIPE
SCHEMBL5317625 0.67 MMP1 (0.34) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 CN claimed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN claimed
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 CN disclosed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN disclosed