SCHEMBL21392454

SCHEMBL21392454

CCCC[C@H](NC(C)=O)C(=O)NC1CCC(=O)NCCC(C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc2ccccc2)NC(=O)CNC1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.52
▸ MC1R Q01726 7/20 0.50
▸ FURIN P09958 1/20 0.50
▸ MC5R P33032 2/20 0.49
▸ MC3R P41968 2/20 0.49
▸ KEAP1 Q14145 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ SIRT3 Q9NTG7 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
SCHEMBL20206361 0.93 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL12092629 0.93 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL21392287 0.93 MC4R (0.47) MC4RMC1RFURINMC5RMC3R
SCHEMBL21392328 0.90 MC4R (0.58) MC4RMC1RFURINMC5RMC3R
SCHEMBL21392395 0.89 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL20206236 0.89 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL12092693 0.89 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL21392393 0.89 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL12092631 0.89 MC4R (0.58) MC4RMC1RMC5RMC3R
SCHEMBL20642726 0.89 MC4R (0.54) MC4RMC1RFURINMC5RMC3R

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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