SCHEMBL8687351

SCHEMBL8687351

CC(COc1ccc(C#N)cc1)NC(=O)C(N)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.52
MMP3 P08254 1/20 0.52
DPP4 P27487 1/20 0.47
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44

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
SCHEMBL8771764 0.87 MMP2 (0.54) MMP2MMP3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL8771788 0.86 MMP2 (0.53) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8682607 0.84 MMP2 (0.53) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8771886 0.82 SCN9A (0.59) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8772009 0.81 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8681826 0.81 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8772041 0.81 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8772014 0.80 CTSK (0.53) MMP2MMP3
SCHEMBL8607737 0.79 MMP2 (0.48) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8772000 0.78 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed