SCHEMBL13290871

SCHEMBL13290871

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 12/20 0.65
▸ NPY4R P50391 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ NPY2R P49146 4/20 0.59
▸ NPY5R Q15761 4/20 0.59

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
SCHEMBL10316459 0.94 OPRK1 (0.62) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290918 0.94 OPRK1 (0.62) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11927496 0.92 OPRK1 (0.60) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11927498 0.92 OPRK1 (0.60) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316466 0.92 OPRK1 (0.60) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316469 0.92 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290888 0.92 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL24001130 0.91 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL20363364 0.90 OPRK1 (0.63) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290902 0.90 OPRK1 (0.59) OPRK1NPY4RNPY1RNPY2RNPY5R

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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