SCHEMBL21392481

SCHEMBL21392481

CCCC[C@H](NC(C)=O)C(=O)NC1CCC(=O)NCCC(C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc2ccc(F)cc2)NC(=O)[C@H](CCCN)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.47
▸ MC1R Q01726 5/20 0.46
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ SIRT1 Q96EB6 2/20 0.45
▸ SIRT3 Q9NTG7 2/20 0.45
▸ FURIN P09958 1/20 0.45
▸ KEAP1 Q14145 2/20 0.43
▸ MC5R P33032 3/20 0.43
▸ MC3R P41968 3/20 0.43
▸ NPY1R P25929 2/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY4R P50391 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 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
SCHEMBL12092579 1.00 MC4R (0.47) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL20362997 1.00 MC4R (0.47) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL12092650 0.95 MC4R (0.47) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL21392265 0.94 MC4R (0.48) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL20206212 0.94 MC4R (0.48) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL12092580 0.94 MC4R (0.48) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL12092735 0.94 MC4R (0.47) MC4RMC1RSIRT2SIRT1SIRT3
SCHEMBL12092629 0.94 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL20206361 0.94 MC4R (0.52) MC4RMC1RFURINMC5RMC3R
SCHEMBL21392480 0.94 MC4R (0.43) MC4RMC1RSIRT2SIRT1SIRT3

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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