SCHEMBL11203117

SCHEMBL11203117

CCCCOC(=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.47
▸ NTSR2 O95665 4/20 0.43
▸ NTSR1 P30989 4/20 0.43
▸ SORT1 Q99523 4/20 0.43
▸ XIAP P98170 1/20 0.43
▸ DPP4 P27487 3/20 0.42
▸ DPP8 Q6V1X1 3/20 0.42
▸ DPP9 Q86TI2 3/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ FAP Q12884 2/20 0.42
▸ ACE P12821 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL10419943 0.82 ELANE (0.47) ELANEDPP4DPP8ACEACE2
SCHEMBL10419941 0.82 ELANE (0.47) ELANEDPP4DPP8ACEACE2
SCHEMBL10702151 0.81 DPP4 (0.52) ELANENTSR2NTSR1SORT1XIAP
SCHEMBL29350414 0.81 XIAP (0.56) ELANENTSR2NTSR1SORT1XIAP
SCHEMBL10702146 0.81 DPP4 (0.52) ELANENTSR2NTSR1SORT1XIAP
SCHEMBL30490609 0.80 DPP4 (0.50) ELANEXIAPDPP4DPP8DPP9
SCHEMBL31206270 0.77 XIAP (0.66) NTSR2NTSR1SORT1XIAPDPP4
SCHEMBL16702238 0.77 XIAP (0.52) NTSR2NTSR1SORT1XIAPDPP4
SCHEMBL16702590 0.77 XIAP (0.52) NTSR2NTSR1SORT1XIAPDPP4
SCHEMBL16701230 0.77 XIAP (0.52) NTSR2NTSR1SORT1XIAPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078167-A1 New N-nitroso-N-(beta-chloro-ethyl)-carbamoyl peptides CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1983-05-04 — — EP disclosed
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