SCHEMBL3843320

SCHEMBL3843320

CC(C)(C)[C](COC(F)F)C(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARG P37231 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
S1PR3 Q99500 2/20 0.37
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CNR2 P34972 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PTGES O14684 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL4966953 0.83 EPHX2 (0.44) EPHX2
SCHEMBL3831696 0.82 MAPT (0.48) RIPK1
SCHEMBL4971081 0.82 MMP13 (0.43)
SCHEMBL4969815 0.78 F2 (0.38)
SCHEMBL18415487 0.75 TRPV1 (0.48) PPARGTRPV1
SCHEMBL2857253 0.73 ALDH1A1 (0.47)
SCHEMBL2857248 0.72 CARM1 (0.39) PPARGTRPV1S1PR3PSMB1PSMB5
SCHEMBL3168173 0.71 CARM1 (0.46) TRPV1CARM1PRMT6
SCHEMBL24999627 0.71 GRM2 (0.49) EPHX2NR1H4
SCHEMBL29769069 0.71 GRM2 (0.49) EPHX2NR1H4

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-2099444-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (CA) 2009-09-16 EP disclosed
WO-2008070994-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (CA) 2008-06-19 WO disclosed