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SCHEMBL4042399

SCHEMBL4042399

COc1cccc(OC)c1-c1ccc(C(=O)NC2(C(=O)O)CCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1.COc1cccc(OC)c1-c1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.40
▸ CXCR5 P32302 2/20 0.35
▸ CTSA P10619 2/20 0.34

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
SCHEMBL544724 0.97 LPAR1 (0.37) LPAR1CXCR5CTSA
SCHEMBL544463 0.95 LPAR1 (0.43) LPAR1CTSA
SCHEMBL545144 0.94 LPAR1 (0.45) LPAR1CTSA
Hydrochloric Acid SCHEMBL544277 0.94 LPAR1 (0.44) LPAR1CTSA
SCHEMBL4042367 0.93 LPAR1 (0.35) LPAR1CTSA
SCHEMBL16493634 0.88 CTSA (0.34) CTSA
Hydrochloric Acid SCHEMBL544731 0.87 LPAR1 (0.41) LPAR1
Hydrochloric Acid SCHEMBL544136 0.85 LPAR1 (0.39) LPAR1CTSA
SCHEMBL4042189 0.85 APLNR (0.43) LPAR1CTSA
Hydrochloric Acid SCHEMBL544286 0.84 LPAR1 (0.39) LPAR1

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
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 — — EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 — — WO disclosed