SCHEMBL10659411

SCHEMBL10659411

O=C(NC(Cc1cccnc1)C(=O)O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 12/20 0.72
CMKLR2 P46091 1/20 0.68
CMKLR1 Q99788 1/20 0.68
ACE P12821 3/20 0.59
PTPN1 P18031 1/20 0.58
ECE1 P42892 1/20 0.57
CTSL P07711 2/20 0.57
CTSB P07858 2/20 0.57
CTSS P25774 2/20 0.57
FOLH1 Q04609 1/20 0.57
CTSK P43235 1/20 0.57
CTSV O60911 1/20 0.56

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
SCHEMBL30037998 0.92 GPR132 (0.69) GPR132CMKLR2CMKLR1ACEPTPN1
SCHEMBL2229201 0.92 GPR132 (0.69) GPR132CMKLR2CMKLR1ACEPTPN1
SCHEMBL3497405 0.92 GPR132 (0.69) GPR132CMKLR2CMKLR1ACEPTPN1
SCHEMBL27547470 0.88 CTSL (0.60) GPR132CMKLR2CMKLR1ACEECE1
SCHEMBL202770 0.88 CTSL (0.60) GPR132CMKLR2CMKLR1ACEECE1
SCHEMBL7894291 0.87 GPR132 (0.60) GPR132CMKLR2CMKLR1ACEECE1
SCHEMBL10118977 0.86 CTSL (0.58) GPR132CMKLR2CMKLR1ACEECE1
SCHEMBL11265259 0.86 ACE (0.64) GPR132CMKLR2CMKLR1ACEECE1
SCHEMBL528464 0.85 ACE (0.76) GPR132ACEPTPN1CTSLCTSS
SCHEMBL111235 0.85 ACE (0.76) GPR132ACEPTPN1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4742067-A Acylalkylaminocarbonyl substituted amino and imino acid compounds E. R. SQUIBB & SONS, INC. (US) 1988-05-03 US disclosed
US-4736066-A Intermediate for substituted peptide compounds E. R. SQUIBB & SONS, INC. (US) 1988-04-05 US disclosed
US-4621092-A HYPOTENSIVE, ANALGESIC E. R. SQUIBB & SONS, INC. (US) 1986-11-04 US disclosed
US-4604402-A HYPOTENSIVE AGNETS E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed
EP-0159156-A1 Hydroxy substituted ureido amino and imino acids E.R. Squibb & Sons, Inc. (US) 1985-10-23 EP disclosed
US-4535176-A HYPOTENSIVE AGENTS, ANALGESICS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-08-13 US disclosed
US-4470973-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1984-09-11 US disclosed
EP-0103496-A1 Acylalkylaminocarbonyl substituted amino and imino acid compounds E.R. Squibb & Sons, Inc. (US) 1984-03-21 EP disclosed