SCHEMBL4041924

SCHEMBL4041924

O=C(O)c1ccc(-c2ncc(Cl)cc2Cl)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.46
CNR1 P21554 5/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TBXA2R P21731 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
RHEB Q15382 1/20 0.41

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
SCHEMBL544317 0.91 CNR1 (0.49) PTGER1CNR1MRGPRX4MGAMGAA
SCHEMBL2492027 0.90 CSNK2A2 (0.41) CNR1MRGPRX4RHEB
SCHEMBL4037797 0.87 PTGER1 (0.48) PTGER1MRGPRX4MGAMGAASI
SCHEMBL4037697 0.86 PTGER1 (0.50) PTGER1MRGPRX4MGAMGAASI
SCHEMBL4037851 0.83 PTGER1 (0.47) PTGER1MRGPRX4MGAMGAASI
SCHEMBL4038959 0.83 PTGER1 (0.48) PTGER1MRGPRX4MGAMGAASI
SCHEMBL544396 0.82 PTGER1 (0.44) PTGER1CNR1MRGPRX4MGAMGAA
SCHEMBL4036485 0.82 PTGER1 (0.47) PTGER1MRGPRX4MGAMGAASI
SCHEMBL913599 0.82 PAICS (0.41)
SCHEMBL913482 0.82 CNR1 (0.40) CNR1MRGPRX4GAA

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-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed