SCHEMBL29798322

SCHEMBL29798322

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.61
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
NPY4R P50391 1/20 0.57
LTA4H P09960 1/20 0.56
MME P08473 2/20 0.55
OPRM1 P35372 1/20 0.53
GNPAT O15228 1/20 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
SCHEMBL31152919 0.99 OPRK1 (0.63) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL29591925 0.97 OPRK1 (0.60) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL29679986 0.96 NPY4R (0.62) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL29798078 0.96 OPRK1 (0.58) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL30785947 0.95 OPRK1 (0.59) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL29733679 0.94 OPRK1 (0.57) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL29798006 0.94 OPRK1 (0.61) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL30064697 0.94 OPRK1 (0.63) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL29531598 0.94 OPRK1 (0.63) OPRK1NPY1RNPY2RNPY4RLTA4H
SCHEMBL30957128 0.93 OPRK1 (0.68) OPRK1NPY1RNPY2RNPY4RLTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118725019-A Method for screening antioxidant peptide by using biochar 长沙理工大学 2024-10-01 CN disclosed
US-20220259265-A1 Inhibitors and Use Thereof in Cancer Treatment THE UNIVERSITY OF SYDNEY (AU) 2022-08-18 US disclosed