SCHEMBL7301520

SCHEMBL7301520

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
REN P00797 3/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
CXCR3 P49682 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL7304463 0.92 CYP1A2 (0.43) CTSKCTSSCTSLCTSBREN
SCHEMBL7313561 0.85 CTSK (0.47) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7306604 0.84 MAPT (0.46) CTSKCTSSCTSLCTSBREN
SCHEMBL7313867 0.82 CTSK (0.48) CTSKCTSSCTSLCTSBCXCR3
SCHEMBL7314443 0.82 CTSK (0.48) CTSKCTSSCTSLCTSBCXCR3
SCHEMBL7305458 0.82 CTSK (0.46) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL7317918 0.75 CTSK (0.46) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL10630212 0.75 CTSK (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL8083546 0.74 ERAP2 (0.45) CTSKCTSSCTSLALDH1A1MMP9
SCHEMBL7834971 0.74 CTSK (0.55) CTSKCTSSCTSLCTSBMAPT

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed