SCHEMBL8771836

SCHEMBL8771836

CC(COc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
SCN9A Q15858 3/20 0.44
SLC1A3 P43003 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FAAH O00519 2/20 0.42
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8771754 0.89 MTNR1A (0.49) MTNR1AMTNR1BSLC1A3FAAHMEN1
SCHEMBL9227615 0.84 MTNR1A (0.43) MTNR1AMTNR1BSCN9AFAAHADAMTS4
SCHEMBL8771906 0.84 MTNR1A (0.50) MTNR1AMTNR1BSLC1A3FAAH
SCHEMBL8771770 0.77 MMP2 (0.46) FAAH
SCHEMBL8771828 0.75 CCR1 (0.45) MTNR1AMTNR1BSLC1A3CYP1A2
SCHEMBL8771864 0.74 MTNR1A (0.49) MTNR1AMTNR1BADAMTS4MMP13
SCHEMBL9228450 0.74 MTNR1A (0.43) MTNR1AMTNR1BFAAHMEN1CYP1A2
SCHEMBL8771849 0.73 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL8772029 0.73 MTNR1A (0.56) MTNR1AMTNR1BSLC1A3KDM4ECYP1A2
SCHEMBL8606117 0.71 SLC1A3 (0.51) SLC1A3ADAMTS4MMP13MEN1CYP1A2

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed