SCHEMBL21392252

SCHEMBL21392252

CC(=O)NCC(=O)NC1CCC(=O)NCCC(C(N)=O)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL20206208 1.00 OPRM1 (0.46) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206217 0.97 SIRT2 (0.47) SIRT2SIRT1SIRT3
SCHEMBL20206359 0.93 SIRT2 (0.42) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206174 0.92 OPRM1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL20206243 0.92 SIRT2 (0.41) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206350 0.92 SIRT2 (0.41) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206182 0.91 SIRT2 (0.44) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206203 0.91 SIRT2 (0.42) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206178 0.89 SIRT2 (0.40) OPRM1OPRD1OPRK1SIRT2SIRT1
SCHEMBL20206247 0.89 KEAP1 (0.41) OPRM1OPRD1OPRK1SIRT2SIRT1

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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