SCHEMBL8771898

SCHEMBL8771898

CC(CSc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9227631 0.82 TDP1 (0.36) MTNR1AMTNR1BTDP1MEN1GAA
SCHEMBL8772018 0.78 MTNR1A (0.39) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL8771893 0.78 MMP1 (0.40) MEN1GAAKMT2AMAPT
SCHEMBL8771881 0.77 MEN1 (0.36) MEN1GAAKMT2AMAPTIDO1
SCHEMBL8772029 0.75 MTNR1A (0.56) MTNR1AMTNR1BGAAALDH1A1L3MBTL1
SCHEMBL21676258 0.68 CTSK (0.38) HPGD
SCHEMBL8961533 0.68 ABL1 (0.36) MEN1KMT2A
SCHEMBL8771891 0.68 LMNA (0.41) MEN1KMT2AMAPTHPGD
SCHEMBL8896748 0.67 MAOB (0.37) MEN1KMT2A
SCHEMBL11263029 0.67 SLC6A4 (0.47) MTNR1AMTNR1BMEN1KMT2AMAPT

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