SCHEMBL13290885

SCHEMBL13290885

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.72
▸ SLC6A2 P23975 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ PSMB11 A5LHX3 1/20 0.42
▸ PSMA7 O14818 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMA1 P25786 1/20 0.42
▸ PSMA2 P25787 1/20 0.42
▸ PSMA3 P25788 1/20 0.42
▸ PSMA4 P25789 1/20 0.42
▸ PSMB8 P28062 1/20 0.42
▸ PSMB9 P28065 1/20 0.42
▸ PSMA5 P28066 1/20 0.42
▸ PSMB4 P28070 1/20 0.42
▸ PSMB6 P28072 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB10 P40306 1/20 0.42
▸ PSMB3 P49720 1/20 0.42

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
SCHEMBL11932315 0.96 OPRK1 (0.79) OPRK1SLC6A2KMT2AOPRM1OPRD1
SCHEMBL13290881 0.93 OPRK1 (0.77) OPRK1OPRM1
SCHEMBL13290867 0.91 OPRK1 (0.78) OPRK1OPRM1
SCHEMBL21886398 0.90 OPRK1 (0.72) OPRK1PSMB11PSMA7PSMB1PSMA1
SCHEMBL21286534 0.89 OPRK1 (0.61) OPRK1KMT2APSMB11PSMA7PSMB1
SCHEMBL10316378 0.89 OPRK1 (0.84) OPRK1OPRM1
SCHEMBL13290878 0.88 OPRK1 (0.91) OPRK1OPRM1
SCHEMBL21286624 0.87 OPRK1 (0.81) OPRK1OPRM1
SCHEMBL10316475 0.87 OPRK1 (0.85) OPRK1OPRM1
SCHEMBL12317858 0.87 OPRK1 (0.58) OPRK1KMT2APSMB11PSMA7PSMB1

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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