SCHEMBL8771764

SCHEMBL8771764

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MMP3 P08254 1/20 0.54
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL8771788 0.99 MMP2 (0.53) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8772041 0.89 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8687351 0.87 MMP2 (0.52) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8682607 0.86 MMP2 (0.53) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8771886 0.85 SCN9A (0.59) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8772009 0.84 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8681826 0.84 MMP2 (0.51) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8607737 0.81 MMP2 (0.48) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8771902 0.80 MAPT (0.51) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL8771923 0.79 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1BACACB

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