SCHEMBL11065220

SCHEMBL11065220

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.66
OPRD1 P41143 4/20 0.66
SLC6A2 P23975 1/20 0.52

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
Acetic Acid SCHEMBL11326955 0.99 OPRM1 (0.65) OPRM1OPRD1SLC6A2
Hydrochloric Acid SCHEMBL11059956 0.94 OPRD1 (0.64) OPRM1OPRD1SLC6A2
SCHEMBL11059142 0.94 OPRD1 (0.68) OPRM1OPRD1SLC6A2
SCHEMBL11335332 0.91 OPRM1 (0.60) OPRM1OPRD1
Acetic Acid SCHEMBL11335606 0.91 OPRM1 (0.59) OPRM1OPRD1
Water SCHEMBL11326959 0.91 OPRM1 (0.56) OPRM1OPRD1
Acetic Acid SCHEMBL11329605 0.89 OPRD1 (0.69) OPRM1OPRD1
SCHEMBL11065582 0.88 OPRD1 (0.67) OPRM1OPRD1
SCHEMBL11400614 0.85 OPRM1 (0.59) OPRM1OPRD1SLC6A2
Hydrochloric Acid SCHEMBL11063226 0.85 OPRD1 (0.69) OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465625-A ANALGESICS RICHTER GEDEON VEGYESZETI GYAR (HU) 1984-08-14 US claimed
EP-0033504-B1 PENTAPEPTIDES OF THE ENCEPHALINE TYPE, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE Richter Gedeon Vegyészeti Gyár R.T. (HU) 1984-10-24 EP disclosed
US-4465625-A ANALGESICS RICHTER GEDEON VEGYESZETI GYAR (HU) 1984-08-14 US disclosed
EP-0033504-A2 Pentapeptides of the encephaline type, process for their preparation and medicaments containing these Richter Gedeon Vegyészeti Gyár R.T. (HU) 1981-08-12 EP disclosed