SCHEMBL11569657

SCHEMBL11569657

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NOCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.62
REN P00797 3/20 0.57
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
BACE1 P56817 4/20 0.49
CA2 P00918 1/20 0.49
CCKAR P32238 2/20 0.48
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL11568520 0.85 CTSS (0.67) RENCTSSCTSKCTSLCTSB
SCHEMBL11568754 0.85 CCKBR (0.47) CCKBRCCKAR
SCHEMBL11105884 0.84 ACE (0.61) CCKBRRENCTSSCTSKCTSL
SCHEMBL7815002 0.84 REN (0.61) CCKBRRENCTSSCTSKCTSL
SCHEMBL13093343 0.83 REN (0.61) CCKBRRENCTSSCTSKCTSL
SCHEMBL11569523 0.82 CCKBR (0.54) CCKBRRENCCKAR
SCHEMBL29787434 0.81 CCKBR (0.56) CCKBRRENCTSSCTSKCTSL
SCHEMBL11682562 0.81 MME (0.59) CCKBRRENCTSSCTSKCTSL
SCHEMBL16576286 0.81 REN (0.64) CCKBRRENBACE1
SCHEMBL11568613 0.81 CCKBR (0.92) CCKBRCCKAR

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
US-4172130-A α-AMINOACYL CONTAINING NEW PEPTIDES WITH GASTRIN EFFECTS AND A PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1979-10-23 US disclosed