SCHEMBL7304129

SCHEMBL7304129

CO[C@](CCCNC(=O)C(CC(C)C)NC(c1ccccc1)c1ccccc1)(c1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.43
CTSL P07711 7/20 0.43
CTSS P25774 6/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CTSB P07858 2/20 0.39
CACNA1B Q00975 2/20 0.39
CAPN1 P07384 2/20 0.39
CAPN2 P17655 1/20 0.39
MMP8 P22894 1/20 0.36

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 0.81 CTSL (0.50) CTSKCTSLCTSSCTSB
SCHEMBL7306148 0.80 CTSL (0.51) CTSKCTSLCTSSCTSB
SCHEMBL7316936 0.75 CTSL (0.49) CTSKCTSLCTSSCTSBCACNA1B
SCHEMBL7306604 0.70 MAPT (0.46) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL7316235 0.68 FNTA (0.39) CTSKCTSLCTSSCTSB
SCHEMBL7312048 0.68 FNTA (0.39) CTSKCTSLCTSSCTSB
SCHEMBL7306274 0.68 EBP (0.39) CTSKCTSLCTSSALDH1A1HPGD
SCHEMBL7316501 0.68 CTSL (0.44) CTSKCTSLCTSSCTSBCACNA1B
SCHEMBL7311694 0.68 CTSL (0.44) CTSKCTSLCTSSCTSBCACNA1B
SCHEMBL7306462 0.68 KIF11 (0.36) ALDH1A1

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