SCHEMBL21392254

SCHEMBL21392254

CCCC[C@H](NC(C)=O)C(=O)NC1CCC(=O)NCCC(C(N)=O)NC(=O)C(C)NC(=O)C(Cc2ccccc2F)NC(=O)CNC1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 0.46
▸ MC1R Q01726 13/20 0.43
▸ MC3R P41968 10/20 0.43
▸ MC5R P33032 5/20 0.43
▸ KEAP1 Q14145 1/20 0.42

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
SCHEMBL21392453 0.86 MC4R (0.47) MC4RMC1RMC3RMC5R
SCHEMBL21392372 0.84 MC4R (0.49) MC4RMC1RMC3RMC5R
SCHEMBL12092575 0.84 MC4R (0.47) MC4RMC1RMC3RMC5R
SCHEMBL21392389 0.82 MC4R (0.45) MC4RMC1RMC3R
SCHEMBL21392454 0.81 MC4R (0.52) MC4RMC1RMC3RMC5RKEAP1
SCHEMBL20206209 0.80 MC4R (0.51) MC4RMC1RMC3RMC5R
SCHEMBL12092513 0.80 MC4R (0.51) MC4RMC1RMC3RMC5R
SCHEMBL21392443 0.80 MC4R (0.51) MC4RMC1RMC3RMC5R
SCHEMBL21392253 0.78 MC4R (0.43) MC4RMC1RMC3RMC5RKEAP1
SCHEMBL20206247 0.78 KEAP1 (0.41) KEAP1

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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