SCHEMBL11059142

SCHEMBL11059142

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.68
OPRM1 P35372 4/20 0.68
SLC6A2 P23975 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
SCHEMBL11065220 0.94 OPRM1 (0.66) OPRD1OPRM1SLC6A2
Acetic Acid SCHEMBL11326955 0.92 OPRM1 (0.65) OPRD1OPRM1SLC6A2
Hydrochloric Acid SCHEMBL11059956 0.92 OPRD1 (0.64) OPRD1OPRM1SLC6A2
SCHEMBL11069657 0.89 OPRD1 (0.65) OPRD1OPRM1
SCHEMBL11400614 0.86 OPRM1 (0.59) OPRD1OPRM1SLC6A2
SCHEMBL11335332 0.85 OPRM1 (0.60) OPRD1OPRM1
Water SCHEMBL11326959 0.85 OPRM1 (0.56) OPRD1OPRM1
Acetic Acid SCHEMBL11335606 0.85 OPRM1 (0.59) OPRD1OPRM1
Acetic Acid SCHEMBL11329605 0.84 OPRD1 (0.69) OPRD1OPRM1
Hydrochloric Acid SCHEMBL11063226 0.84 OPRD1 (0.69) OPRD1OPRM1

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
US-4465625-A ANALGESICS RICHTER GEDEON VEGYESZETI GYAR (HU) 1984-08-14 US disclosed