SCHEMBL2491076

SCHEMBL2491076

CN(C)CCCOc1cc(-c2nc(C(=O)NC3(C(=O)O)CCCCC3)ccc2-c2ncc(Cl)cc2Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.39
PAICS P22234 4/20 0.38
ERAP1 Q9NZ08 3/20 0.35
PDE5A O76074 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34
CNR1 P21554 4/20 0.34
HTR1A P08908 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 SCHEMBL544756 0.99 LPAR1 (0.38) LPAR1PAICSERAP1PDE5APDE4D
SCHEMBL914421 0.94 PAICS (0.35) LPAR1PAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL913550 0.94 PAICS (0.35) LPAR1PAICSPDE5APDE4DPDE7A
SCHEMBL2486974 0.93 PAICS (0.37) LPAR1PAICSERAP1PDE5APDE4D
SCHEMBL2490910 0.93 LPAR1 (0.37) LPAR1PAICSERAP1PDE5APDE4D
SCHEMBL2486450 0.92 PAICS (0.37) LPAR1PAICSCNR1
Hydrochloric Acid SCHEMBL544507 0.92 LPAR1 (0.37) LPAR1PAICSERAP1PDE5APDE4D
SCHEMBL2490109 0.92 PAICS (0.37) LPAR1PAICSCNR1
Hydrochloric Acid SCHEMBL544182 0.91 LPAR1 (0.36) LPAR1PAICSERAP1PDE5APDE4D
Hydrochloric Acid SCHEMBL544547 0.90 LPAR1 (0.41) LPAR1PAICSERAP1SHMT1SHMT2

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