SCHEMBL8086793

SCHEMBL8086793

CC[C@H](C)[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSK P43235 4/20 0.48
CTSS P25774 3/20 0.48
CA2 P00918 2/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
SYK P43405 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
SCHEMBL8075350 1.00 KMT2A (0.52) KMT2AMEN1SMN1; SMN2CTSKCTSS
SCHEMBL7304711 0.87 CTSK (0.44) KMT2AMEN1SMN1; SMN2CTSKCTSS
SCHEMBL7307182 0.87 CTSK (0.44) KMT2AMEN1SMN1; SMN2CTSKCTSS
SCHEMBL8612019 0.83 ANPEP (0.47) KMT2AMEN1SMN1; SMN2CTSKCTSS
SCHEMBL8612961 0.82 CTSL (0.58) KMT2AMEN1SMN1; SMN2CTSKCTSS
SCHEMBL8083658 0.82 CTSK (0.46) KMT2AMEN1CTSKCTSSCTSL
SCHEMBL8617454 0.81 CA2 (0.51) KMT2ACTSKCTSSCA2CTSL
SCHEMBL7306604 0.79 MAPT (0.46) KMT2AMEN1CTSKCTSSCTSL
SCHEMBL7373764 0.78 CTSK (0.58) KMT2AMEN1SMN1; SMN2CTSKCTSS
SCHEMBL7353047 0.77 CTSK (0.45) KMT2AMEN1CTSKCTSS

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed