SCHEMBL2489983

SCHEMBL2489983

Cc1ccc(-c2ncc(C(=O)NC3(C(=O)O)CCCCC3)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAICS P22234 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
CNR1 P21554 9/20 0.36
PDE5A O76074 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
LPAR1 Q92633 2/20 0.35
CTSA P10619 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL545079 0.99 PAICS (0.37) PAICSKDM4EMAPTMAPK1ATM
SCHEMBL912831 0.94 CNR1 (0.35) PAICSKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544508 0.91 PAICS (0.37) PAICSKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544610 0.91 KDM4E (0.37) PAICSKDM4EMAPTMAPK1ATM
SCHEMBL2489461 0.88 PAICS (0.37) PAICSKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544289 0.87 KDM4E (0.38) PAICSKDM4EMAPTMAPK1ATM
SCHEMBL2491164 0.86 FFAR1 (0.38) PAICSCNR1PDE5APDE4DPDE7A
SCHEMBL2486974 0.86 PAICS (0.37) PAICSKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544578 0.86 FFAR1 (0.38) PAICSCNR1PDE5APDE4DPDE7A
SCHEMBL2489050 0.85 KDR (0.37) PAICSKDM4EMAPTMAPK1ATM

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