SCHEMBL8772029

SCHEMBL8772029

CC(CSc1ccccc1)NC(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.56
MTNR1B P49286 6/20 0.56
SLC1A3 P43003 1/20 0.45
CCR1 P32246 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9222095 0.82 MTNR1A (0.48) MTNR1AMTNR1BSLC1A3TSHRHTT
SCHEMBL8606112 0.77 SLC1A3 (0.51) SLC1A3CCR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8606117 0.77 SLC1A3 (0.51) SLC1A3CCR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL3363885 0.75 SLC1A3 (0.69) SLC1A3CCR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL1951462 0.75 SLC1A3 (0.69) SLC1A3CCR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL1953003 0.75 SLC1A3 (0.69) SLC1A3CCR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8771944 0.75 MTNR1A (0.66) MTNR1AMTNR1BCYP1A2KDM4EALDH1A1
SCHEMBL27603296 0.75 SLC1A3 (0.49) MTNR1AMTNR1BSLC1A3TSHRHTT
SCHEMBL8771898 0.75 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1GAAL3MBTL1
SCHEMBL7529238 0.74 SLC1A3 (0.67) SLC1A3CCR1CYP1A2SMN1; SMN2ALDH1A1

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