SCHEMBL2491735

SCHEMBL2491735

Cc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(C)(C)C)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 0.46

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
Hydrochloric Acid SCHEMBL544413 0.99 CTSA (0.45) CTSA
SCHEMBL912798 0.94 CTSA (0.45) CTSA
SCHEMBL912797 0.93 CTSA (0.42) CTSA
SCHEMBL2492101 0.93 CTSA (0.43) CTSA
Hydrochloric Acid SCHEMBL912913 0.92 CTSA (0.42) CTSA
SCHEMBL2490827 0.90 CTSA (0.44) CTSA
Hydrochloric Acid SCHEMBL545085 0.89 CTSA (0.43) CTSA
Hydrochloric Acid SCHEMBL544784 0.89 CTSA (0.43) CTSA
SCHEMBL912801 0.88 CTSA (0.40) CTSA
SCHEMBL914205 0.87 CTSA (0.42) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 US claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP disclosed