SCHEMBL8771789

SCHEMBL8771789

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
GPR88 Q9GZN0 5/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 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
SCHEMBL8771945 0.89 MTNR1A (0.48) MTNR1AMTNR1BMMP2MMP3
SCHEMBL9225695 0.85 MGLL (0.45) MTNR1AMTNR1BMGLLFAAHMMP2
SCHEMBL8771906 0.84 MTNR1A (0.50) MTNR1AMTNR1BMGLLFAAHMMP2
SCHEMBL8772009 0.78 MMP2 (0.51) MTNR1AMTNR1BMGLLMMP2MMP3
SCHEMBL8681826 0.78 MMP2 (0.51) MTNR1AMTNR1BMGLLMMP2MMP3
SCHEMBL8771864 0.77 MTNR1A (0.49) MTNR1AMTNR1BMMP2MMP3
SCHEMBL8605260 0.76 CTSS (0.52) MMP2MMP3
SCHEMBL9220783 0.76 MMP2 (0.44) MTNR1AMTNR1BMGLLFAAHMMP2
SCHEMBL9229183 0.75 MMP2 (0.46) MTNR1AMTNR1BMGLLFAAHMMP2
SCHEMBL8771770 0.75 MMP2 (0.46) MGLLFAAHMMP2MMP3

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