SCHEMBL7364463

SCHEMBL7364463

CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 14/20 0.63
CAPN9 O14815 3/20 0.63
CTSB P07858 3/20 0.63
MAPK1 P28482 2/20 0.63
CTSL P07711 3/20 0.51
LMNA P02545 2/20 0.51
CTSG P08311 1/20 0.51
CTSK P43235 2/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
CTSC P53634 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL7364469 0.86 CAPN1 (0.55) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL8879179 0.84 CAPN1 (0.46) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL7357351 0.84 CAPN1 (0.50) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL7359655 0.83 CAPN9 (0.69) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL7353908 0.82 LAP3 (0.50) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL7362904 0.81 LAP3 (0.51) CAPN1CAPN9CTSBMAPK1CTSL
E-64C SCHEMBL14067670 0.77 CAPN1 (1.00) CAPN1CAPN9CTSBMAPK1CTSL
E-64C SCHEMBL3281530 0.77 CAPN1 (1.00) CAPN1CAPN9CTSBMAPK1CTSL
E-64C SCHEMBL10933522 0.77 CAPN1 (1.00) CAPN1CAPN9CTSBMAPK1CTSL
E-64C SCHEMBL10750447 0.77 CAPN1 (1.00) CAPN1CAPN9CTSBMAPK1CTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed