SCHEMBL29679986

SCHEMBL29679986

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 4/20 0.62
NPY1R P25929 3/20 0.62
NPY2R P49146 3/20 0.62
OPRK1 P41145 4/20 0.61
LTA4H P09960 1/20 0.56
MMP2 P08253 1/20 0.56
MME P08473 1/20 0.55
NPY5R Q15761 2/20 0.55
NTSR2 O95665 1/20 0.54
NTSR1 P30989 1/20 0.54
OPRM1 P35372 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
SCHEMBL29798006 0.98 OPRK1 (0.61) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL29798322 0.96 OPRK1 (0.61) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL31152919 0.95 OPRK1 (0.63) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL30799723 0.94 OPRK1 (0.57) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL31186203 0.94 NPY1R (0.61) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL30064697 0.94 OPRK1 (0.63) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL29531598 0.94 OPRK1 (0.63) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL30785947 0.93 OPRK1 (0.59) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL30957128 0.93 OPRK1 (0.68) NPY4RNPY1RNPY2ROPRK1LTA4H
SCHEMBL29591925 0.93 OPRK1 (0.60) NPY4RNPY1RNPY2ROPRK1LTA4H

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-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 WO disclosed