SCHEMBL7309730

SCHEMBL7309730

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.48
CTSK P43235 11/20 0.48
CTSS P25774 10/20 0.48
CTSB P07858 6/20 0.44
CACNA1B Q00975 2/20 0.44

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
SCHEMBL7309429 0.86 CTSL (0.45) CTSLCTSKCTSSCTSBCACNA1B
SCHEMBL7316501 0.85 CTSL (0.44) CTSLCTSKCTSSCTSBCACNA1B
SCHEMBL7311694 0.80 CTSL (0.44) CTSLCTSKCTSSCTSBCACNA1B
SCHEMBL7313591 0.79 CCR1 (0.39)
SCHEMBL7306148 0.73 CTSL (0.51) CTSLCTSKCTSSCTSB
SCHEMBL7307986 0.73 FNTA (0.42) CTSKCTSS
SCHEMBL7314922 0.73 EBP (0.43)
SCHEMBL7304422 0.73 CTSL (0.50) CTSLCTSKCTSSCTSB
SCHEMBL7306594 0.72 EBP (0.43)
SCHEMBL7305541 0.72 EBP (0.43)

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