SCHEMBL7309429

SCHEMBL7309429

CC(C)C[C@H](NCC(c1ccccc1)c1ccccc1)C(=O)NCCCC(C)(C#N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.45
CTSK P43235 9/20 0.45
CTSS P25774 9/20 0.45
CACNA1B Q00975 2/20 0.43
CTSB P07858 3/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL7316501 0.87 CTSL (0.44) CTSLCTSKCTSSCACNA1BCTSB
SCHEMBL7306148 0.87 CTSL (0.51) CTSLCTSKCTSSCTSB
SCHEMBL7309730 0.86 CTSL (0.48) CTSLCTSKCTSSCACNA1BCTSB
SCHEMBL7311694 0.81 CTSL (0.44) CTSLCTSKCTSSCACNA1BCTSB
SCHEMBL7307986 0.74 FNTA (0.42) CTSKCTSSCNR1CNR2
SCHEMBL7314922 0.74 EBP (0.43) CNR1CNR2
SCHEMBL7304422 0.74 CTSL (0.50) CTSLCTSKCTSSCTSB
SCHEMBL7305541 0.73 EBP (0.43) CNR1CNR2
SCHEMBL7306594 0.73 EBP (0.43) CNR1CNR2
SCHEMBL7304663 0.72 FNTA (0.40) CNR1CNR2

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