SCHEMBL8772009

SCHEMBL8772009

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.51
MMP3 P08254 1/20 0.51
GPR88 Q9GZN0 3/20 0.45
SCN9A Q15858 3/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
ACACB O00763 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ACACA Q13085 1/20 0.41
MGLL Q99685 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
SCHEMBL8681826 1.00 MMP2 (0.51) MMP2MMP3GPR88SCN9AMTNR1A
SCHEMBL8682607 0.90 MMP2 (0.53) MMP2MMP3SCN9AMTNR1AMTNR1B
SCHEMBL8771886 0.86 SCN9A (0.59) MMP2MMP3GPR88SCN9AMTNR1A
SCHEMBL8771764 0.84 MMP2 (0.54) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8772041 0.83 MMP2 (0.51) MMP2MMP3GPR88MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL8771788 0.82 MMP2 (0.53) MMP2MMP3MTNR1AMTNR1BACACB
SCHEMBL8687351 0.81 MMP2 (0.52) MMP2MMP3MTNR1AMTNR1B
SCHEMBL8607737 0.80 MMP2 (0.48) MMP2MMP3GPR88MTNR1AMTNR1B
SCHEMBL8771789 0.78 MTNR1A (0.47) MMP2MMP3GPR88MTNR1AMTNR1B
SCHEMBL8772003 0.78 MMP2 (0.48) MMP2MMP3GPR88ALDH1A1HPGD

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