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Sugi Predict / Compounds / SCHEMBL11272941

SCHEMBL11272941

SCHEMBL11272941

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 18/20 0.78
▸ CCKAR P32238 5/20 0.72

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
SCHEMBL21586576 0.92 CCKBR (0.76) CCKBRCCKAR
SCHEMBL21586577 0.92 CCKBR (0.76) CCKBRCCKAR
SCHEMBL11568613 0.92 CCKBR (0.92) CCKBRCCKAR
SCHEMBL29408699 0.90 CCKBR (0.83) CCKBRCCKAR
SCHEMBL29833626 0.90 CCKBR (0.76) CCKBRCCKAR
SCHEMBL29367037 0.90 CCKBR (0.83) CCKBRCCKAR
SCHEMBL29367557 0.90 CCKBR (0.75) CCKBRCCKAR
SCHEMBL11606121 0.89 CCKBR (0.61) CCKBRCCKAR
SCHEMBL11260840 0.88 CCKBR (0.65) CCKBRCCKAR
SCHEMBL11608557 0.88 CCKBR (0.60) 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-4330466-A Process for the production of cholecystokinin-pancreozymin C-terminal peptide amide sulfate esters AMANO PHARMACEUTICAL CO., LTD. (JP) 1982-05-18 — — US disclosed