SCHEMBL2489050

SCHEMBL2489050

Cc1cc(O)ccc1-c1ccc(C(=O)NC2(C(=O)O)CCCCC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
LPAR1 Q92633 2/20 0.37
PAICS P22234 4/20 0.36
PDE5A O76074 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
ERAP1 Q9NZ08 2/20 0.33
CHEK1 O14757 1/20 0.33
PDK1 Q15118 1/20 0.32
HSP90AB1 P08238 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
Hydrochloric Acid SCHEMBL544734 0.99 KDR (0.36) KDRLPAR1PAICSPDE5APDE4D
SCHEMBL2488762 0.95 KDR (0.36) KDRLPAR1PAICSPDE5APDE4D
SCHEMBL913453 0.94 KDR (0.34) KDRLPAR1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL545108 0.94 KDR (0.36) KDRLPAR1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL545325 0.93 KDR (0.37) KDRLPAR1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544610 0.93 KDM4E (0.37) LPAR1PAICSPDE5APDE4DPDE7A
SCHEMBL2488907 0.92 LPAR1 (0.39) KDRLPAR1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL4040027 0.92 PDE10A (0.34) KDRLPAR1PAICSCHEK1KDM4E
Hydrochloric Acid SCHEMBL544080 0.91 LPAR1 (0.38) KDRLPAR1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544865 0.91 LPAR1 (0.38) KDRLPAR1PAICSPDE5APDE4D

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