SCHEMBL8771886

SCHEMBL8771886

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.59
MMP2 P08253 2/20 0.52
MMP3 P08254 1/20 0.52
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
ACACB O00763 3/20 0.42
ACACA Q13085 1/20 0.42
GPR88 Q9GZN0 1/20 0.42

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
SCHEMBL8682607 0.89 MMP2 (0.53) SCN9AMMP2MMP3MTNR1AMTNR1B
SCHEMBL8681826 0.86 MMP2 (0.51) SCN9AMMP2MMP3MTNR1AMTNR1B
SCHEMBL8772009 0.86 MMP2 (0.51) SCN9AMMP2MMP3MTNR1AMTNR1B
SCHEMBL8771764 0.85 MMP2 (0.54) MMP2MMP3MTNR1AMTNR1BACACB
Hydrochloric Acid SCHEMBL8771788 0.84 MMP2 (0.53) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8687351 0.82 MMP2 (0.52) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8772041 0.81 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8607737 0.81 MMP2 (0.48) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8771983 0.78 CTSL (0.55) MMP2MMP3
SCHEMBL8771945 0.78 MTNR1A (0.48) 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 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