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SCHEMBL29798185

SCHEMBL29798185

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.54
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ REN P00797 2/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ KISS1R Q969F8 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL29798007 0.97 OPRK1 (0.55) OPRK1NPY1RNPY2RNPY4RREN
SCHEMBL9747710 0.94 ERAP2 (0.47) OPRK1ERAP2LNPEP
SCHEMBL29531327 0.94 ERAP2 (0.47) OPRK1ERAP2LNPEP
SCHEMBL9747696 0.94 ERAP2 (0.47) OPRK1ERAP2LNPEP
SCHEMBL29798193 0.94 OPRK1 (0.52) OPRK1NPY1RNPY2RNPY4RKISS1R
SCHEMBL30645273 0.92 NPY4R (0.47) OPRK1NPY1RNPY2RNPY4RREN
SCHEMBL30645270 0.92 NPY4R (0.47) OPRK1NPY1RNPY2RNPY4RREN
SCHEMBL29531754 0.92 MME (0.50) —
SCHEMBL30728889 0.92 MME (0.50) —
SCHEMBL29531670 0.91 OPRK1 (0.44) OPRK1NPY1RNPY2RNPY4RREN

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-20220259265-A1 Inhibitors and Use Thereof in Cancer Treatment THE UNIVERSITY OF SYDNEY (AU) 2022-08-18 — — US disclosed