SCHEMBL7361179

SCHEMBL7361179

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.53
ACE2 Q9BYF1 6/20 0.49
ACE P12821 5/20 0.49
CPA1 P15085 5/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GNPAT O15228 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7355198 0.86 MEN1 (0.55) LMNA
SCHEMBL7360937 0.85 MMP9 (0.60)
SCHEMBL7358942 0.84 KMT2A (0.53)
SCHEMBL8309285 0.83 MMP9 (0.60)
SCHEMBL8305171 0.83 MMP9 (0.60)
SCHEMBL7361514 0.83 BACE1 (0.48)
SCHEMBL7354151 0.83 CTSL (0.46)
SCHEMBL7355409 0.82 CTSL (0.43)
SCHEMBL7353908 0.81 LAP3 (0.50)
SCHEMBL7358288 0.81 ALDH1A1 (0.63) TDP1

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