SCHEMBL2485908

SCHEMBL2485908

COCCOc1ccc(C)c(-c2ccc(C(=O)NC3(C(=O)O)CCCCC3)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.36
PAICS P22234 3/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDR P35968 3/20 0.34
FAAH O00519 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 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 SCHEMBL544281 0.99 LPAR1 (0.36) LPAR1PAICSKDM4ETDP1ALDH1A1
SCHEMBL913456 0.95 PAICS (0.34) LPAR1PAICSKDM4ETDP1ALDH1A1
Hydrochloric Acid SCHEMBL544945 0.94 LPAR1 (0.37) LPAR1PAICSKDM4ETDP1ALDH1A1
Hydrochloric Acid SCHEMBL544416 0.94 PAICS (0.36) LPAR1PAICSKDM4ETDP1ALDH1A1
SCHEMBL2488721 0.94 FFAR1 (0.35) LPAR1PAICSKDM4ETDP1ALDH1A1
Hydrochloric Acid SCHEMBL4041904 0.94 PPARA (0.33) LPAR1PAICSKDM4ETDP1ALDH1A1
Hydrochloric Acid SCHEMBL544715 0.93 FFAR1 (0.35) LPAR1PAICSKDM4ETDP1ALDH1A1
SCHEMBL2489157 0.92 PAICS (0.35) LPAR1PAICSKDM4EKDRPDE5A
Hydrochloric Acid SCHEMBL544861 0.91 PAICS (0.34) LPAR1PAICSKDM4ETDP1ALDH1A1
SCHEMBL2492559 0.91 SMYD2 (0.34) LPAR1PAICSKDM4EPDE5APDE4D

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