SCHEMBL9224068

SCHEMBL9224068

CC(COc1ccc(C#N)cc1)N[C@H](C(=O)NC(=S)Oc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP3 P08254 1/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL9229183 0.90 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1BADAMTS4
SCHEMBL8771864 0.85 MTNR1A (0.49) MMP2MMP3MTNR1AMTNR1BADAMTS4
SCHEMBL9228637 0.85 MMP3 (0.43) MMP2MMP3MTNR1AMTNR1BADAMTS4
SCHEMBL9229556 0.80 MMP2 (0.45) MMP2MMP3ADAMTS4MMP13
SCHEMBL9230030 0.80 MMP2 (0.46) MMP2MMP3ADAMTS4MMP13
SCHEMBL9225729 0.79 MTNR1A (0.46) MMP2MMP3MTNR1AMTNR1BMEN1
SCHEMBL9228630 0.78 MMP2 (0.45) MMP2MMP3ADAMTS4MMP13
SCHEMBL8771906 0.78 MTNR1A (0.50) MMP2MMP3MTNR1AMTNR1B
SCHEMBL9229887 0.77 MMP2 (0.46) MMP2MMP3MTNR1AMTNR1BADAMTS4
SCHEMBL9226371 0.77 MMP2 (0.43) MMP2MMP3ADAMTS4MMP13

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-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed