SCHEMBL7316936

SCHEMBL7316936

CC(C)C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NCCCC(C#N)(c1ccc(F)cc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.49
CTSK P43235 12/20 0.48
CTSS P25774 11/20 0.48
CTSB P07858 7/20 0.47
CACNA1B Q00975 2/20 0.46

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
SCHEMBL7304422 0.93 CTSL (0.50) CTSLCTSKCTSSCTSB
SCHEMBL7314588 0.88 CACNA1B (0.38) CTSLCTSKCTSSCTSBCACNA1B
SCHEMBL7309770 0.81 EBP (0.44) CTSLCTSKCTSS
SCHEMBL7316501 0.81 CTSL (0.44) CTSLCTSKCTSSCTSBCACNA1B
SCHEMBL7311694 0.81 CTSL (0.44) CTSLCTSKCTSSCTSBCACNA1B
SCHEMBL7306148 0.81 CTSL (0.51) CTSLCTSKCTSSCTSB
SCHEMBL7313580 0.81 FNTA (0.39) CTSLCTSKCTSSCTSB
SCHEMBL7316235 0.81 FNTA (0.39) CTSLCTSKCTSSCTSB
SCHEMBL7312048 0.81 FNTA (0.39) CTSLCTSKCTSSCTSB
SCHEMBL7306274 0.81 EBP (0.39) CTSLCTSKCTSSCTSBCACNA1B

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