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SCHEMBL4042192

SCHEMBL4042192

COc1cccc(OC)c1-c1ccc(C(=O)NC(CC(=O)OC(=O)C2(NC(=O)c3ccc(-c4c(OC)cccc4OC)c(-c4ccc(Cl)c(OCCCN(C)C)c4)n3)CCCCC2)C2CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.36
▸ CTSA P10619 9/20 0.34
▸ LPAR1 Q92633 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL4042189 0.92 APLNR (0.43) APLNRCTSALPAR1
SCHEMBL543882 0.88 APLNR (0.47) APLNRCTSA
SCHEMBL545144 0.85 LPAR1 (0.45) CTSALPAR1
Hydrochloric Acid SCHEMBL544277 0.84 LPAR1 (0.44) CTSALPAR1
SCHEMBL544463 0.84 LPAR1 (0.43) CTSALPAR1
SCHEMBL4042367 0.84 LPAR1 (0.35) CTSALPAR1
Hydrochloric Acid SCHEMBL4041082 0.83 CTSA (0.31) CTSA
SCHEMBL4042399 0.80 LPAR1 (0.40) CTSALPAR1
Bicarbonate SCHEMBL16493732 0.80 CNR1 (0.45) —
Bicarbonate SCHEMBL16493592 0.79 CNR1 (0.44) UTS2R

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