SCHEMBL21883064

SCHEMBL21883064

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(=N)N)C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 14/20 0.68
▸ NPY4R P50391 6/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ NPY2R P49146 4/20 0.53
▸ NPY5R Q15761 4/20 0.53

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
SCHEMBL21286534 0.90 OPRK1 (0.61) OPRK1
SCHEMBL21286491 0.90 OPRK1 (0.72) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316475 0.90 OPRK1 (0.85) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290867 0.90 OPRK1 (0.78) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290871 0.89 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL18413282 0.89 OPRK1 (0.83) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL13290888 0.88 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316469 0.88 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL24001130 0.87 OPRK1 (0.65) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21286624 0.87 OPRK1 (0.81) 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
WO-2020056249-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS, INC. (US) 2020-03-19 — — WO disclosed
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