SCHEMBL7353133

SCHEMBL7353133

O=C(NCc1ccccc1)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 4/20 0.57
MMP9 P14780 2/20 0.54
MMP8 P22894 2/20 0.54
MMP2 P08253 1/20 0.54
CTSB P07858 3/20 0.49
CTSS P25774 3/20 0.49
CTSL P07711 2/20 0.49
CTSK P43235 2/20 0.49
CTNNB1 P35222 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
MMP1 P03956 1/20 0.43
LCK P06239 1/20 0.42
ANPEP P15144 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
SCHEMBL7353158 0.98 FCER2 (0.57) FCER2MMP9MMP8MMP2CTSB
SCHEMBL7353146 0.90 FCER2 (0.56) FCER2MMP9MMP8MMP2CTSB
SCHEMBL7363540 0.86 FCER2 (0.52) FCER2MMP9MMP8MMP2CTSB
SCHEMBL7355264 0.85 MMP1 (0.47) FCER2MMP8MMP1ANPEP
SCHEMBL7358991 0.85 CTNNB1 (0.50) FCER2MMP9MMP8MMP2CTSB
SCHEMBL7362211 0.83 MCHR1 (0.47) FCER2MMP8MMP1ANPEP
SCHEMBL8201134 0.82 FCER2 (0.69) FCER2MMP9MMP8MMP2CTSB
SCHEMBL8201136 0.82 FCER2 (0.69) FCER2MMP9MMP8MMP2CTSB
SCHEMBL8305264 0.80 PSMB5 (0.47) FCER2MMP8PSMB5MMP1ANPEP
SCHEMBL12354885 0.80 FCER2 (0.69) FCER2MMP9MMP8MMP2CTSB

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