SCHEMBL7362422

SCHEMBL7362422

O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
KMT2A Q03164 2/20 0.48
NMBR P28336 2/20 0.47
TACR1 P25103 2/20 0.47
BRS3 P32247 1/20 0.45
CA1 P00915 1/20 0.44
CA5A P35218 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL7363926 0.91 L3MBTL1 (0.47) KMT2ANMBR
SCHEMBL7358942 0.85 KMT2A (0.53) CTSLCTSSCTSKKMT2ABRS3
SCHEMBL7356622 0.85 KMT2A (0.43) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL7361056 0.85 BRS3 (0.47) CTSLCTSSKMT2ANMBRBRS3
SCHEMBL7362797 0.85 SRC (0.47) KMT2A
SCHEMBL7358003 0.85 KMT2A (0.55) CTSLCTSSCTSKKMT2A
SCHEMBL7364449 0.84 CHRNB2 (0.47) KMT2A
SCHEMBL7358956 0.84 KMT2A (0.51) KMT2ANMBRBRS3
SCHEMBL13073498 0.81 CTSL (0.71) CTSLCTSBCTSSCTSKNMBR
SCHEMBL7764124 0.81 CTSL (0.71) CTSLCTSBCTSSCTSKNMBR

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