SCHEMBL8574416

SCHEMBL8574416

CC(C)CC(NC(=O)C(CS)NC(=O)CNC(=O)C(N)Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.66
▸ OPRM1 P35372 3/20 0.66
▸ OPRK1 P41145 2/20 0.66
▸ MME P08473 2/20 0.60
▸ LTA4H P09960 1/20 0.57

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
SCHEMBL8574421 1.00 OPRD1 (0.66) OPRD1OPRM1OPRK1MMELTA4H
SCHEMBL30053179 0.92 OPRD1 (0.68) OPRD1OPRM1OPRK1MMELTA4H
SCHEMBL29892587 0.92 OPRD1 (0.68) OPRD1OPRM1OPRK1MME
SCHEMBL31461882 0.89 OPRD1 (0.65) OPRD1OPRM1OPRK1LTA4H
SCHEMBL29626871 0.88 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL29355873 0.88 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL30153107 0.88 OPRD1 (0.63) OPRD1OPRM1OPRK1LTA4H
SCHEMBL29992506 0.87 OPRD1 (0.65) OPRD1OPRM1OPRK1LTA4H
Enkephalin SCHEMBL16189980 0.86 OPRD1 (0.75) OPRD1OPRM1OPRK1
Enkephalin SCHEMBL631958 0.86 OPRD1 (0.75) OPRD1OPRM1OPRK1

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
US-5817758-A FOR PEPTIDES TERRAPIN TECHNOLOGIES, INC. (US) 1998-10-06 — — US disclosed
WO-1996040735-A1 p-NITROBENZYL SIDE-CHAIN PROTECTION FOR SOLID-PHASE SYNTHESIS TERRAPIN TECHNOLOGIES, INC. (US) 1996-12-19 — — WO disclosed
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