SCHEMBL19712194

SCHEMBL19712194

CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C]=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.51
▸ CCKBR P32239 8/20 0.51
▸ IL23R Q5VWK5 2/20 0.51
▸ KISS1R Q969F8 3/20 0.50
▸ CCKAR P32238 4/20 0.49
▸ OPRD1 P41143 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
SCHEMBL647795 0.94 MC4R (0.51) MC4RIL23RKISS1R
SCHEMBL649010 0.94 MC4R (0.54) MC4RCCKBRIL23RKISS1RCCKAR
SCHEMBL30464987 0.92 IL23R (0.57) MC4RCCKBRIL23RKISS1RCCKAR
SCHEMBL30464985 0.91 IL23R (0.58) MC4RCCKBRIL23RKISS1RCCKAR
SCHEMBL30464982 0.91 IL23R (0.59) MC4RCCKBRIL23RKISS1RCCKAR
SCHEMBL29814670 0.91 IL23R (0.61) MC4RCCKBRIL23RKISS1RCCKAR
SCHEMBL30464995 0.91 IL23R (0.61) MC4RCCKBRIL23RKISS1RCCKAR
SCHEMBL28714609 0.88 IL23R (0.56) MC4RCCKBRIL23RKISS1R
SCHEMBL30464993 0.87 IL23R (0.58) MC4RCCKBRIL23RKISS1R
SCHEMBL30464997 0.87 IL23R (0.57) MC4RCCKBRIL23RKISS1R

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-3257863-A1 FLOUROUS METABOLICALLY STABLE PEPTIDE ANALOGS Université de Strasbourg (FR) 2017-12-20 — — EP disclosed
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