SCHEMBL13290902

SCHEMBL13290902

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(=N)N)C(=O)N1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.59
▸ PSMB8 P28062 1/20 0.49
▸ PSMB9 P28065 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ PSMB10 P40306 1/20 0.49
▸ PSMB2 P49721 1/20 0.49
▸ NPY4R P50391 3/20 0.47
▸ NPY1R P25929 2/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ NPY5R Q15761 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL10316406 0.94 OPRK1 (0.57) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290894 0.94 OPRK1 (0.57) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316470 0.92 OPRK1 (0.55) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11927494 0.92 OPRK1 (0.55) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11927495 0.92 OPRK1 (0.55) OPRK1PSMB8PSMB9PSMB5PSMB10
SCHEMBL18413053 0.92 OPRK1 (0.55) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21286534 0.91 OPRK1 (0.61) OPRK1PSMB8PSMB9PSMB5PSMB10
SCHEMBL12317858 0.90 OPRK1 (0.58) OPRK1PSMB8PSMB9PSMB5PSMB10
SCHEMBL13290871 0.90 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316467 0.89 OPRK1 (0.76) 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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