SCHEMBL2490160

SCHEMBL2490160

Cc1c(O)cccc1-c1ccc(C(=O)NC2(C(=O)O)CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
KDR P35968 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PAICS P22234 3/20 0.35
PDE5A O76074 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
GPR132 Q9UNW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33

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 SCHEMBL544889 0.99 LPAR1 (0.40) LPAR1KDRERAP1PAICSPDE5A
SCHEMBL912887 0.94 LPAR1 (0.37) LPAR1KDRPAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544104 0.92 LPAR1 (0.38) LPAR1KDRERAP1PAICSPDE5A
SCHEMBL2488907 0.91 LPAR1 (0.39) LPAR1KDRPAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544080 0.90 LPAR1 (0.38) LPAR1KDRPAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544865 0.90 LPAR1 (0.38) LPAR1KDRPAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544286 0.90 LPAR1 (0.39) LPAR1KDRPAICSPDE5APDE4D
SCHEMBL2489057 0.89 LPAR1 (0.38) LPAR1KDRERAP1PAICSPDE5A
Hydrochloric Acid SCHEMBL545142 0.89 LPAR1 (0.37) LPAR1KDRERAP1PAICSPDE5A
SCHEMBL2489050 0.88 KDR (0.37) LPAR1KDRERAP1PAICSPDE5A

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