SCHEMBL8771864

SCHEMBL8771864

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
MMP2 P08253 2/20 0.46
MMP3 P08254 1/20 0.46
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL8771906 0.90 MTNR1A (0.50) MTNR1AMTNR1BMMP2MMP3
SCHEMBL9224068 0.85 MMP2 (0.44) MTNR1AMTNR1BMMP2MMP3ADAMTS4
SCHEMBL8771965 0.85 MTNR1A (0.44) MTNR1AMTNR1BMMP2MMP3ADAMTS4
SCHEMBL8771770 0.81 MMP2 (0.46) MMP2MMP3
SCHEMBL8772014 0.81 CTSK (0.53) MMP2MMP3
SCHEMBL8771849 0.80 MTNR1A (0.52) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8772000 0.79 MMP2 (0.46) MTNR1AMTNR1BMMP2MMP3
SCHEMBL9229183 0.79 MMP2 (0.46) MTNR1AMTNR1BMMP2MMP3ADAMTS4
SCHEMBL8771945 0.78 MTNR1A (0.48) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8771923 0.77 MMP2 (0.46) MTNR1AMTNR1BMMP2MMP3ADAMTS4

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