SCHEMBL2492559

SCHEMBL2492559

Cc1ccc(OC(F)F)cc1-c1ccc(C(=O)NC2(C(=O)O)CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 1/20 0.34
LPAR1 Q92633 2/20 0.34
PAICS P22234 4/20 0.34
PDE2A O00408 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ERAP1 Q9NZ08 2/20 0.32
CNR2 P34972 2/20 0.32
PDE5A O76074 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
CTSA P10619 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 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
SCHEMBL912796 0.95 SMYD2 (0.34) SMYD2LPAR1PAICSPDE2AFFAR1
SCHEMBL2489157 0.94 PAICS (0.35) LPAR1PAICSFFAR4ERAP1PDE5A
Hydrochloric Acid SCHEMBL544126 0.93 LPAR1 (0.34) LPAR1PAICSFFAR4ERAP1PDE5A
SCHEMBL2488721 0.92 FFAR1 (0.35) LPAR1PAICSFFAR1FFAR4PDE5A
SCHEMBL2485908 0.91 LPAR1 (0.36) LPAR1PAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544715 0.91 FFAR1 (0.35) LPAR1PAICSFFAR1FFAR4PDE5A
Hydrochloric Acid SCHEMBL544861 0.91 PAICS (0.34) LPAR1PAICSERAP1PDE5APDE4D
Hydrochloric Acid SCHEMBL544281 0.91 LPAR1 (0.36) LPAR1PAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544416 0.91 PAICS (0.36) LPAR1PAICSPDE5APDE4DPDE7A
SCHEMBL2488762 0.90 KDR (0.36) LPAR1PAICSERAP1PDE5APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO 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
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed