SCHEMBL30376271

SCHEMBL30376271

Cc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)CC(=O)N3)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 0.55
ANPEP P15144 1/20 0.48
AKT1 P31749 1/20 0.47

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
SCHEMBL18006588 0.89 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL30375783 0.89 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL25315485 0.89 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL30376200 0.89 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL25312089 0.88 SMYD3 (0.54) SMYD3ANPEPAKT1
SCHEMBL25312087 0.88 SMYD3 (0.54) SMYD3ANPEPAKT1
SCHEMBL25312585 0.87 SMYD3 (0.55) SMYD3ANPEPAKT1
SCHEMBL25312590 0.87 SMYD3 (0.55) SMYD3ANPEPAKT1
SCHEMBL25313196 0.82 ANPEP (0.57) SMYD3ANPEPAKT1
SCHEMBL25311225 0.82 SMYD3 (0.52) SMYD3ANPEPAKT1

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
EP-4157858-A2 SMALL MOLECULE INHIBITORS OF GRK5 AND GRK5 SUBFAMILY MEMBERS AND USES THEREOF The Regents of The University of Michigan (US) 2023-04-05 EP disclosed