SCHEMBL13290855

SCHEMBL13290855

CC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.92
▸ OPRM1 P35372 2/20 0.56

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
SCHEMBL10316456 0.96 OPRK1 (1.00) OPRK1OPRM1
SCHEMBL18413103 0.95 OPRK1 (0.99) OPRK1OPRM1
SCHEMBL19249320 0.95 OPRK1 (0.99) OPRK1OPRM1
SCHEMBL13290878 0.95 OPRK1 (0.91) OPRK1OPRM1
SCHEMBL12243573 0.93 OPRK1 (0.96) OPRK1OPRM1
SCHEMBL13290863 0.93 OPRK1 (0.92) OPRK1OPRM1
SCHEMBL12242933 0.93 OPRK1 (0.86) OPRK1OPRM1
SCHEMBL21286621 0.92 OPRK1 (0.85) OPRK1OPRM1
SCHEMBL21886569 0.91 OPRK1 (0.90) OPRK1OPRM1
SCHEMBL10316418 0.90 OPRK1 (1.00) OPRK1OPRM1

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-7727963-B2 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2010-06-01 — — US disclosed
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