SCHEMBL2488652

SCHEMBL2488652

Cc1ccc(C2CC2)cc1-c1ccc(C(=O)NC2(C(=O)O)CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.35
PAICS P22234 3/20 0.34
ERAP1 Q9NZ08 3/20 0.33
PDE5A O76074 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
DGAT1 O75907 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
CNR2 P34972 1/20 0.31
HTR1A P08908 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
CNR1 P21554 2/20 0.31

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
SCHEMBL912151 0.95 PAICS (0.32) LPAR1PAICSPDE5APDE4DPDE7A
SCHEMBL2488762 0.90 KDR (0.36) LPAR1PAICSERAP1PDE5APDE4D
Hydrochloric Acid SCHEMBL544289 0.90 KDM4E (0.38) LPAR1PAICSERAP1PDE5APDE4D
Hydrochloric Acid SCHEMBL545108 0.90 KDR (0.36) LPAR1PAICSERAP1PDE5APDE4D
SCHEMBL2488907 0.89 LPAR1 (0.39) LPAR1PAICSPDE5APDE4DPDE7A
SCHEMBL2488721 0.88 FFAR1 (0.35) LPAR1PAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544216 0.88 LPAR1 (0.35) LPAR1PAICSERAP1PDE5APDE4D
Hydrochloric Acid SCHEMBL544536 0.88 CNR2 (0.38) LPAR1PAICSPPARGPPARACNR2
Hydrochloric Acid SCHEMBL544080 0.88 LPAR1 (0.38) LPAR1PAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544865 0.88 LPAR1 (0.38) LPAR1PAICSPDE5APDE4DPDE7A

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