SCHEMBL2489885

SCHEMBL2489885

CCCOc1ccc(Cl)c(-c2ccc(C(=O)NC3(C(=O)O)CCCCC3)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAICS P22234 4/20 0.37
LPAR1 Q92633 2/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
AGER Q15109 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE5A O76074 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
HSP90AB1 P08238 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 SCHEMBL544416 0.94 PAICS (0.36) PAICSLPAR1AGERKDM4EALDH1A1
SCHEMBL913392 0.94 PAICS (0.35) PAICSLPAR1FFAR1FFAR4AGER
Hydrochloric Acid SCHEMBL545156 0.94 FFAR1 (0.38) PAICSLPAR1FFAR1FFAR4KDM4E
Hydrochloric Acid SCHEMBL544945 0.94 LPAR1 (0.37) PAICSLPAR1FFAR1FFAR4AGER
Hydrochloric Acid SCHEMBL545066 0.92 LPAR1 (0.39) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544261 0.91 LPAR1 (0.35) PAICSLPAR1FFAR4PDE5APDE4D
SCHEMBL2488721 0.90 FFAR1 (0.35) PAICSLPAR1FFAR1FFAR4KDM4E
SCHEMBL16493861 0.90 LPAR1 (0.38) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544480 0.90 FFAR4 (0.41) PAICSLPAR1FFAR1FFAR4
SCHEMBL2485908 0.90 LPAR1 (0.36) PAICSLPAR1KDM4EALDH1A1PDE5A

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