SCHEMBL8771945

SCHEMBL8771945

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
CTSK P43235 9/20 0.46
CTSS P25774 8/20 0.46
CTSL P07711 7/20 0.46
CTSB P07858 2/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL8771789 0.89 MTNR1A (0.47) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8771906 0.85 MTNR1A (0.50) MTNR1AMTNR1BMMP2MMP3
SCHEMBL9220783 0.84 MMP2 (0.44) MTNR1AMTNR1BCTSKCTSSCTSL
SCHEMBL8771983 0.84 CTSL (0.55) CTSKCTSSCTSLCTSBMMP2
SCHEMBL8771864 0.78 MTNR1A (0.49) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8771886 0.78 SCN9A (0.59) MTNR1AMTNR1BMMP2MMP3
SCHEMBL9229183 0.76 MMP2 (0.46) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8771770 0.76 MMP2 (0.46) MMP2MMP3
SCHEMBL9225695 0.76 MGLL (0.45) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8771849 0.75 MTNR1A (0.52) MTNR1AMTNR1BMMP2MMP3

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