SCHEMBL8771944

SCHEMBL8771944

CC(CSc1ccccc1)NC(=O)[C@@H](N)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.66
MTNR1B P49286 7/20 0.66
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSC P53634 1/20 0.39
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
ADAM17 P78536 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6987493 0.81 MTNR1A (0.78) MTNR1AMTNR1BMAOAMAOBKDM4E
SCHEMBL8772029 0.75 MTNR1A (0.56) MTNR1AMTNR1BKDM4EALDH1A1GAA
SCHEMBL8771938 0.73 MTNR1A (0.57) MTNR1AMTNR1BMAOAMAOBKDM4E
SCHEMBL9404273 0.72 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1
SCHEMBL8910228 0.72 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1
SCHEMBL7318689 0.71 LMNA (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL7315854 0.71 MEN1 (0.60) KDM4EALDH1A1
SCHEMBL7315864 0.71 MEN1 (0.60) KDM4EALDH1A1
SCHEMBL7311069 0.71 LMNA (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL13479489 0.71 MEN1 (0.60) KDM4EALDH1A1

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