SCHEMBL2489157

SCHEMBL2489157

Cc1ccc(OC(C)C)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 20)

geneUniProtsupporting neighboursconfidence
PAICS P22234 4/20 0.35
LPAR1 Q92633 2/20 0.35
PDGFRB P09619 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
KDR P35968 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
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
ERAP1 Q9NZ08 1/20 0.31
HTR1A P08908 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 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
Hydrochloric Acid SCHEMBL544126 0.99 LPAR1 (0.34) PAICSLPAR1PDGFRBFFAR4PPARD
SCHEMBL913461 0.95 PAICS (0.33) PAICSLPAR1PDGFRBFFAR4PDE5A
Hydrochloric Acid SCHEMBL544261 0.94 LPAR1 (0.35) PAICSLPAR1PDGFRBFFAR4PPARD
SCHEMBL2492559 0.94 SMYD2 (0.34) PAICSLPAR1FFAR4PDE5APDE4D
Hydrochloric Acid SCHEMBL544861 0.93 PAICS (0.34) PAICSLPAR1PPARAPDE5APDE4D
SCHEMBL2488721 0.92 FFAR1 (0.35) PAICSLPAR1FFAR4PPARAPDE5A
Hydrochloric Acid SCHEMBL544715 0.92 FFAR1 (0.35) PAICSLPAR1FFAR4PPARAPDE5A
SCHEMBL2485908 0.92 LPAR1 (0.36) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544281 0.91 LPAR1 (0.36) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544416 0.91 PAICS (0.36) PAICSLPAR1PDE5APDE4DPDE7A

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