SCHEMBL29519607

SCHEMBL29519607

NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 3/20 0.56
▸ NPY2R P49146 3/20 0.56
▸ NPY4R P50391 3/20 0.56
▸ MC4R P32245 12/20 0.53
▸ MC1R Q01726 7/20 0.53
▸ KISS1R Q969F8 2/20 0.53
▸ CCKBR P32239 2/20 0.51

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
SCHEMBL31332219 0.87 CCKBR (0.55) KISS1RCCKBR
SCHEMBL29559198 0.85 NPY1R (0.65) NPY1RNPY2RNPY4RMC4RMC1R
SCHEMBL30366588 0.80 KISS1R (0.60) NPY1RNPY2RNPY4RMC4RKISS1R
SCHEMBL29519296 0.80 KISS1R (0.60) NPY1RNPY2RNPY4RMC4RKISS1R
SCHEMBL29373777 0.80 NPY1R (0.74) NPY1RNPY2RNPY4RMC4RMC1R
SCHEMBL29526811 0.78 ERAP2 (0.57) —
SCHEMBL31055392 0.76 CCKBR (0.48) NPY1RNPY2RNPY4RCCKBR
SCHEMBL29805135 0.76 NPY1R (0.79) NPY1RNPY2RNPY4RMC4RMC1R
SCHEMBL30797506 0.76 NPY1R (0.79) NPY1RNPY2RNPY4RMC4RMC1R
SCHEMBL30169323 0.75 OPRM1 (0.62) —

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-3973978-A1 METHODS OF MODULATING CORTICOSTEROID RESPONSE Mallinckrodt Ard IP Unlimited Company (IE) 2022-03-30 — — EP disclosed
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