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Sugi Predict / Compounds / SCHEMBL21392398

SCHEMBL21392398

SCHEMBL21392398

CC(=O)NCC(=O)NC1CCC(=O)NCCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.57
▸ MC1R Q01726 6/20 0.57
▸ IL23R Q5VWK5 13/20 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
SCHEMBL21392262 0.98 MC4R (0.59) MC4RMC1RIL23R
SCHEMBL21392401 0.96 MC4R (0.58) MC4RMC1RIL23R
SCHEMBL20206282 0.95 MC4R (0.55) MC4RMC1RIL23R
SCHEMBL20206296 0.94 MC1R (0.56) MC4RMC1RIL23R
SCHEMBL21392385 0.90 MC4R (0.71) MC4RMC1RIL23R
SCHEMBL20362980 0.90 MC4R (0.71) MC4RMC1RIL23R
SCHEMBL12657710 0.90 MC4R (0.71) MC4RMC1RIL23R
SCHEMBL22605979 0.90 MC4R (0.71) MC4RMC1RIL23R
SCHEMBL22606179 0.90 MC4R (0.71) MC4RMC1RIL23R
SCHEMBL15127364 0.89 MC4R (0.71) MC4RMC1R

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
WO-2019183472-A1 MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDE FORMULATIONS AND METHODS FOR GASTROINTESTINAL TRACT-SPECIFIC DELIVERY PALATIN TECHNOLOGIES, INC. (US) 2019-09-26 — — WO disclosed
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