SCHEMBL21392265

SCHEMBL21392265

CCCCC(NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCCN)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 16/20 0.48
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ SIRT1 Q96EB6 2/20 0.45
▸ SIRT3 Q9NTG7 2/20 0.45
▸ FURIN P09958 1/20 0.45
▸ MC1R Q01726 5/20 0.44
▸ MC3R P41968 8/20 0.44
▸ MC5R P33032 5/20 0.44
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL20206212 1.00 MC4R (0.48) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL12092580 1.00 MC4R (0.48) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL20362997 0.94 MC4R (0.47) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL21392481 0.94 MC4R (0.47) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL12092579 0.94 MC4R (0.47) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL12092735 0.93 MC4R (0.47) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL12092650 0.92 MC4R (0.47) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL12092736 0.92 MC4R (0.48) MC4RSIRT2SIRT1SIRT3FURIN
SCHEMBL20206361 0.92 MC4R (0.52) MC4RFURINMC1RMC3RMC5R
SCHEMBL12092629 0.92 MC4R (0.52) MC4RFURINMC1RMC3RMC5R

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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