SCHEMBL8771753

SCHEMBL8771753

CC1CCCC(OC(=O)N(C(C)COc2ccc(C#N)cc2)[C@H](C(N)=O)C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.39
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
MMP3 P08254 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KDM1A O60341 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL8771765 0.90 MMP2 (0.43) MMP2CHRM2CHRM1CHRM3MMP3
SCHEMBL8771901 0.79 MMP2 (0.45) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771919 0.77 MMP2 (0.45) MMP2MMP3MAOBKDM1AALDH1A1
SCHEMBL8772015 0.76 MMP2 (0.44) MMP2MMP3MAOBKDM1AALDH1A1
SCHEMBL8771767 0.76 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771816 0.76 MMP2 (0.44) MMP2MMP3MEN1KMT2AMAOB
SCHEMBL8771861 0.75 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771794 0.74 MMP2 (0.43) MMP2MMP3MEN1KMT2AMAOB
SCHEMBL8772045 0.74 MAOB (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771846 0.73 MMP2 (0.41) MMP2MMP3MAOBALDH1A1HPGD

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
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed