SCHEMBL7355409

SCHEMBL7355409

C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.43
CTSS P25774 5/20 0.43
CTSK P43235 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ANPEP P15144 1/20 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
SCHEMBL7355423 0.89 CTSL (0.41) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL7355755 0.85 L3MBTL1 (0.42) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL7358942 0.84 KMT2A (0.53) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL7355198 0.83 MEN1 (0.55) MEN1KMT2A
SCHEMBL7354151 0.83 CTSL (0.46) CTSLCTSSCTSKCTSBL3MBTL1
SCHEMBL7361514 0.83 BACE1 (0.48) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL7361179 0.82 MME (0.53)
SCHEMBL7353908 0.81 LAP3 (0.50) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL7356782 0.81 GRIA1 (0.48) KMT2AL3MBTL1
SCHEMBL8309375 0.80 PSMB1 (0.52) CTSLMEN1KMT2A

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