SCHEMBL10941127

SCHEMBL10941127

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.41
BACE1 P56817 2/20 0.41
CTSD P07339 1/20 0.41
FURIN P09958 3/20 0.41
PCSK6 P29122 1/20 0.41
NOD1 Q9Y239 1/20 0.40
FOLH1 Q04609 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CPB2 Q96IY4 1/20 0.39
CTSL P07711 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
GHSR Q92847 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL30185606 0.89 FOLH1 (0.51) ECE1NOD1FOLH1CPB2
SCHEMBL29355062 0.88 ECE1 (0.50) ECE1BACE1CTSDNOD1PDCD1LG2
SCHEMBL29612058 0.88 FURIN (0.49) BACE1CTSDFURINPCSK6PDCD1LG2
SCHEMBL31475710 0.87 FURIN (0.43) BACE1CTSDFURINPCSK6CTSL
SCHEMBL29588623 0.86 FURIN (0.47) FURINNOD1FOLH1CTSLNMT2
SCHEMBL29784947 0.85 NMT1 (0.48) FURINPCSK6NOD1CPB2CTSL
SCHEMBL31232968 0.85 GNPAT (0.52) ECE1NOD1FOLH1CPB2
SCHEMBL30081121 0.85 NMT1 (0.46) BACE1CTSDFURINPCSK6PDCD1LG2
SCHEMBL29630490 0.85 NMT1 (0.46) BACE1CTSDFURINPCSK6PDCD1LG2
SCHEMBL31129145 0.85 BACE1 (0.46) ECE1BACE1CTSDPDCD1LG2CD274

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
EP-0067425-B1 POSSIBLY PROTECTED PEPTIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL AGENTS CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-09-18 EP disclosed
EP-0067425-A1 Possibly protected peptides, process for their preparation and pharmaceutical agents containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1982-12-22 EP disclosed