SCHEMBL7311694

SCHEMBL7311694

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.44
CTSK P43235 6/20 0.44
CTSS P25774 5/20 0.44
CACNA1B Q00975 2/20 0.44
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CTSB P07858 3/20 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
SCHEMBL7316501 0.94 CTSL (0.44) CTSLCTSKCTSSCACNA1BEBP
SCHEMBL7316023 0.88 FNTA (0.43) CTSKCTSSCNR1CNR2EBP
SCHEMBL7304422 0.87 CTSL (0.50) CTSLCTSKCTSSEBPSIGMAR1
SCHEMBL7307986 0.83 FNTA (0.42) CTSKCTSSCNR1CNR2EBP
SCHEMBL7314922 0.82 EBP (0.43) CNR1CNR2EBPSIGMAR1
SCHEMBL7309429 0.81 CTSL (0.45) CTSLCTSKCTSSCACNA1BCNR1
SCHEMBL7316936 0.81 CTSL (0.49) CTSLCTSKCTSSCACNA1BCTSB
SCHEMBL7305541 0.81 EBP (0.43) CNR1CNR2EBPSIGMAR1
SCHEMBL7306594 0.81 EBP (0.43) CNR1CNR2EBPSIGMAR1
SCHEMBL7309730 0.80 CTSL (0.48) CTSLCTSKCTSSCACNA1BCTSB

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