SCHEMBL2486974

SCHEMBL2486974

Cc1cnc(-c2ccc(C(=O)NC3(C(=O)O)CCCCC3)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAICS P22234 4/20 0.37
LPAR1 Q92633 2/20 0.37
PDE5A O76074 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
CTSA P10619 2/20 0.34
KDM4E B2RXH2 3/20 0.34
P2RX7 Q99572 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL2489461 0.95 PAICS (0.37) PAICSLPAR1PDE5APDE4DPDE7A
SCHEMBL914649 0.94 PAICS (0.35) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL912179 0.94 PAICS (0.35) PAICSLPAR1PDE5APDE4DPDE7A
SCHEMBL2491076 0.93 LPAR1 (0.39) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544756 0.93 LPAR1 (0.38) PAICSLPAR1PDE5APDE4DPDE7A
SCHEMBL2492514 0.92 PAICS (0.36) PAICSLPAR1CTSAKDM4EMAPT
SCHEMBL2492517 0.92 PAICS (0.36) PAICSLPAR1CTSAKDM4EMAPT
SCHEMBL2490910 0.92 LPAR1 (0.37) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL544507 0.91 LPAR1 (0.37) PAICSLPAR1PDE5APDE4DPDE7A
SCHEMBL913906 0.89 PAICS (0.35) 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