SCHEMBL7378990

SCHEMBL7378990

CC(C)(C)C(=O)OCS[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCC(=O)N2CC[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.49
ACE P12821 2/20 0.49
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
LCK P06239 13/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7378824 1.00 MME (0.49) MMEACEITGB1ITGA4LCK
SCHEMBL7378826 1.00 MME (0.49) MMEACEITGB1ITGA4LCK
SCHEMBL7380637 0.96 MME (0.50) MMEACELCKTSHR
SCHEMBL7379321 0.96 MME (0.50) MMEACELCKTSHR
SCHEMBL7387487 0.90 ACE (0.42) MMEACEITGB1ITGA4LCK
SCHEMBL7381130 0.90 ACE (0.42) MMEACEITGB1ITGA4LCK
SCHEMBL7373285 0.88 ACE (0.64) MMEACELCK
SCHEMBL7373282 0.88 ACE (0.64) MMEACELCK
SCHEMBL7373995 0.88 ACE (0.64) MMEACELCK
SCHEMBL7354742 0.87 ACE (0.47) MMEACEITGB1ITGA4TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640086-A1 NOVEL MERCAPTOACETYLAMIDO PYRIDAZO 1,2]PYRIDAZINE, PYRAZOLO 1,2]PYRIDAZINE, PYRIDAZO 1,2-a] 1,2]DIAZEPINE AND PYRAZOLO 1,2-a] 1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1995-03-01 EP disclosed
US-5366973-A Enkephalinase inhibitors, bradykinin inhibitors or inhibitors of angiotensin converting enzymes as analgesics, diuretics or hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-22 US disclosed
WO-1993023403-A1 NOVEL MERCAPTOACETYLAMIDO PYRIDAZO[1,2]PYRIDAZINE, PYRAZOLO[1,2]PYRIDAZINE, PYRIDAZO[1,2-a][1,2]DIAZEPINE AND PYRAZOLO[1,2-a][1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed