SCHEMBL30017516

SCHEMBL30017516

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.70
ACE P12821 4/20 0.59
OPRD1 P41143 2/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54

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
SCHEMBL30017589 1.00 MME (0.70) MMEACEOPRD1OPRM1OPRK1
SCHEMBL30288033 0.95 MME (0.66) MMEACEOPRD1OPRM1OPRK1
SCHEMBL30288011 0.95 MME (0.66) MMEACEOPRD1OPRM1OPRK1
SCHEMBL30288043 0.95 MME (0.66) MMEACEOPRD1OPRM1OPRK1
SCHEMBL29706544 0.94 MME (0.61) MMEACE
SCHEMBL30481168 0.94 MME (0.61) MMEACE
SCHEMBL29368174 0.94 MME (0.61) MMEACE
SCHEMBL29511634 0.93 MME (0.61) MMEACEOPRD1OPRM1OPRK1
SCHEMBL31472984 0.92 MME (0.64) MMEACEOPRD1OPRM1OPRK1
SCHEMBL8713686 0.92 MME (0.64) MMEACEOPRD1OPRM1OPRK1

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
EP-4091601-A1 GEL COMPOSITIONS FOR TRANSDERMAL DELIVERY TO MAXIMIZE DRUG CONCENTRATIONS IN THE STRATUM CORNEUM AND SERUM AND METHODS OF USE THEREOF Viramal Limited (GB) 2022-11-23 EP disclosed