SCHEMBL11568613

SCHEMBL11568613

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.92
CCKAR P32238 7/20 0.67

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
Amogastrin SCHEMBL2733789 0.94 CCKBR (0.81) CCKBRCCKAR
SCHEMBL11699685 0.92 CCKBR (0.79) CCKBRCCKAR
SCHEMBL10779706 0.92 CCKBR (0.78) CCKBRCCKAR
Pentagastrin SCHEMBL30816011 0.92 CCKBR (1.00) CCKBRCCKAR
Pentagastrin SCHEMBL26045 0.92 CCKBR (1.00) CCKBRCCKAR
Pentagastrin SCHEMBL26046 0.92 CCKBR (1.00) CCKBRCCKAR
SCHEMBL11568709 0.92 CCKBR (0.78) CCKBRCCKAR
SCHEMBL11272941 0.92 CCKBR (0.78) CCKBRCCKAR
SCHEMBL11696956 0.91 CCKBR (0.78) CCKBRCCKAR
Water SCHEMBL11698477 0.91 CCKBR (0.77) 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