SCHEMBL10694799

SCHEMBL10694799

CC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)N(C=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.44
ANPEP P15144 2/20 0.44
RNPEP Q9H4A4 2/20 0.44
DNPEP Q9ULA0 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CTSB P07858 4/20 0.40
HPGD P15428 1/20 0.40
KCNA5 P22460 1/20 0.39

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
SCHEMBL10689368 0.83 LAP3 (0.43) LAP3ANPEPRNPEPDNPEPLMNA
SCHEMBL10686998 0.75 LAP3 (0.51) LAP3ANPEPRNPEPDNPEPLMNA
SCHEMBL11028392 0.75 MME (0.40) ALDH1A1HPGD
SCHEMBL10686536 0.75 CYP1A2 (0.43) PKM
SCHEMBL10691427 0.74 PKM (0.54) LAP3ANPEPRNPEPDNPEPLMNA
SCHEMBL7098463 0.74 ALDH1A1 (0.40) ALDH1A1CTSBHPGD
SCHEMBL7100804 0.74 HPGD (0.40) ALDH1A1CTSBHPGD
SCHEMBL7499940 0.73 MAPK1 (0.39) CTSB
SCHEMBL7492299 0.73 MAPK1 (0.39) CTSB
SCHEMBL7100866 0.72 HPGD (0.48) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed