SCHEMBL7354151

SCHEMBL7354151

O=C(NCC(c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.46
CTSS P25774 5/20 0.46
CTSB P07858 3/20 0.46
CTSK P43235 3/20 0.44
MMP1 P03956 1/20 0.42
FCER2 P06734 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ATM Q13315 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
SCHEMBL7354162 0.89 CTSL (0.44) CTSLCTSSCTSBCTSKMMP1
SCHEMBL7361514 0.88 BACE1 (0.48) CTSLCTSSCTSBCTSKMMP1
SCHEMBL7354485 0.85 CTSS (0.43) CTSLCTSSCTSBCTSKL3MBTL1
SCHEMBL7358942 0.85 KMT2A (0.53) CTSLCTSSCTSKL3MBTL1MMP8
SCHEMBL7360937 0.84 MMP9 (0.60) MMP9MMP8MMP14
SCHEMBL7361179 0.83 MME (0.53)
SCHEMBL7355409 0.83 CTSL (0.43) CTSLCTSSCTSBCTSKL3MBTL1
SCHEMBL7355198 0.82 MEN1 (0.55)
SCHEMBL7353908 0.82 LAP3 (0.50) CTSLCTSSCTSBCTSKL3MBTL1
SCHEMBL7356782 0.82 GRIA1 (0.48) L3MBTL1MMP8

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