SCHEMBL8771835

SCHEMBL8771835

CC(C)OC(=O)N(C(C)COc1ccc(Cl)cn1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.34
FPR2 P25090 1/20 0.34
MMP1 P03956 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPE Q05469 1/20 0.34
TACR3 P29371 5/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
GABRA5 P31644 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8771818 0.85 LIPE (0.47) SCN9AFPR2LIPECNR1CNR2
SCHEMBL8771912 0.78 KDM4E (0.42) MMP1MEN1KMT2AGAAMAPT
SCHEMBL8771884 0.74 POLB (0.37) MEN1KMT2ACNR1MAPTKDM4E
Hydrochloric Acid SCHEMBL8771979 0.69 MMP1 (0.41) SCN9AFPR2MMP1MEN1KMT2A
SCHEMBL8771892 0.68 MAPT (0.33) MEN1KMT2AGAAMAPT
SCHEMBL2608835 0.67 GABRA5 (0.42) MEN1KMT2ATACR3CNR1CNR2
SCHEMBL8771843 0.66 TRPA1 (0.44) MMP1MEN1KMT2ACNR1CNR2
SCHEMBL9228363 0.65 MMP1 (0.40) MMP1MEN1KMT2ACNR1CNR2
SCHEMBL8896867 0.65 ALOX5 (0.58) MEN1KMT2AKDM4E
SCHEMBL15360194 0.65 MEN1 (0.33) MEN1KMT2ACNR1CNR2GABRA5

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