SCHEMBL9854726

SCHEMBL9854726

CCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.66
KISS1R Q969F8 4/20 0.61
CCKAR P32238 7/20 0.60
OPRD1 P41143 1/20 0.58

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
SCHEMBL10380385 0.92 GHSR (0.60) CCKBRKISS1RCCKAR
SCHEMBL30343493 0.89 CCKBR (0.72) CCKBRCCKAROPRD1
SCHEMBL9854702 0.88 KISS1R (0.67) CCKBRKISS1R
SCHEMBL29702204 0.88 CCKBR (0.66) CCKBRKISS1RCCKAROPRD1
Hydrochloric Acid SCHEMBL10709787 0.88 CCKBR (0.65) CCKBRKISS1RCCKAROPRD1
Hydrochloric Acid SCHEMBL10709777 0.88 CCKBR (0.65) CCKBRKISS1RCCKAROPRD1
SCHEMBL30037369 0.87 CCKBR (0.68) CCKBRCCKAROPRD1
SCHEMBL29569171 0.86 CCKBR (0.66) CCKBRCCKAROPRD1
SCHEMBL8360548 0.84 CCKBR (0.65) CCKBRCCKAR
SCHEMBL24500027 0.84 GHSR (0.69) KISS1R

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-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed