SCHEMBL29540311

SCHEMBL29540311

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.59
▸ OPRD1 P41143 6/20 0.49
▸ OPRM1 P35372 5/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ APC P25054 1/20 0.48
▸ ENPEP Q07075 2/20 0.47
▸ CHRND Q07001 6/20 0.47
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ FOLH1 Q04609 1/20 0.46

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
SCHEMBL29735690 0.89 NAALAD2 (0.56) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL29630662 0.88 NAALAD2 (0.58) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL29630551 0.87 NAALAD2 (0.50) NAALAD2OPRD1OPRM1OPRK1ENPEP
SCHEMBL29816684 0.87 NAALAD2 (0.54) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL30533112 0.87 NAALAD2 (0.61) NAALAD2OPRM1CHRNDCHRNA1CHRNG
SCHEMBL29630542 0.85 NAALAD2 (0.55) NAALAD2ENPEPCHRNDCHRNA1CHRNG
SCHEMBL30898605 0.85 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL30483407 0.84 NAALAD2 (0.60) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL29630734 0.84 NAALAD2 (0.54) NAALAD2ENPEPCHRNDCHRNA1CHRNG
SCHEMBL31380447 0.84 NAALAD2 (0.65) NAALAD2FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4221678-A1 NOVEL USE OF A PEPTIDE TO IMPROVE THE COMFORT OF SKIN AND/OR MUCOUS MEMBRANES AND/OR THE APPEARANCE OF DANDER BASF Beauty Care Solutions France SAS (FR) 2023-08-09 — — EP disclosed
WO-2022069844-A1 NOVEL USE OF A PEPTIDE TO IMPROVE THE COMFORT OF SKIN AND/OR MUCOUS MEMBRANES AND/OR THE APPEARANCE OF DANDER BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2022-04-07 — — WO disclosed
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