SCHEMBL7355264

SCHEMBL7355264

O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.47
FCER2 P06734 5/20 0.47
ANPEP P15144 1/20 0.46
BRS3 P32247 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP8 P22894 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
MMP3 P08254 1/20 0.43
KLKB1 P03952 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL7355276 0.89 BRS3 (0.47) MMP1FCER2ANPEPBRS3MEN1
SCHEMBL7359233 0.89 BRS3 (0.51) MMP1BRS3KMT2AITGB1ITGA4
SCHEMBL7362211 0.87 MCHR1 (0.47) MMP1FCER2ANPEPMEN1KMT2A
SCHEMBL7360073 0.86 KLKB1 (0.47) MMP1ITGB1ITGA4PTPN1PTPN2
SCHEMBL7353133 0.85 FCER2 (0.57) MMP1FCER2ANPEPMMP8
SCHEMBL7353158 0.83 FCER2 (0.57) MMP1FCER2MMP8
SCHEMBL8309375 0.83 PSMB1 (0.52) BRS3MEN1KMT2A
SCHEMBL7358942 0.82 KMT2A (0.53) BRS3MEN1KMT2AMMP8
SCHEMBL7361514 0.81 BACE1 (0.48) MMP1FCER2MEN1KMT2AMMP8
SCHEMBL7354151 0.81 CTSL (0.46) MMP1FCER2ANPEPMMP8

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