SCHEMBL2490910

SCHEMBL2490910

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
PAICS P22234 4/20 0.37
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
P2RX7 Q99572 3/20 0.33
RET P07949 1/20 0.33
CTSA P10619 2/20 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 SCHEMBL544507 0.99 LPAR1 (0.37) LPAR1ERAP1PAICSFABP4FABP5
SCHEMBL913468 0.94 PAICS (0.35) LPAR1ERAP1PAICSPDE5APDE4D
SCHEMBL2491076 0.93 LPAR1 (0.39) LPAR1ERAP1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544756 0.92 LPAR1 (0.38) LPAR1ERAP1PAICSPDE5APDE4D
SCHEMBL2486974 0.92 PAICS (0.37) LPAR1ERAP1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544879 0.91 LPAR1 (0.38) LPAR1ERAP1PAICSFABP4FABP5
Hydrochloric Acid SCHEMBL544492 0.89 LPAR1 (0.38) LPAR1ERAP1PAICSFABP4FABP5
SCHEMBL2489461 0.88 PAICS (0.37) LPAR1ERAP1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL543863 0.88 LPAR1 (0.38) LPAR1ERAP1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544136 0.87 LPAR1 (0.39) LPAR1ERAP1PAICSFABP4FABP5

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 4 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-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