SCHEMBL4047738

SCHEMBL4047738

O=C(O)c1ccc(O)c(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
PTPN1 P18031 5/20 0.46
PTPN6 P29350 4/20 0.46
PTPN2 P17706 3/20 0.46
MCL1 Q07820 3/20 0.45
XDH P47989 1/20 0.43
PTGER1 P34995 4/20 0.41
MAP4K4 O95819 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
SCHEMBL544470 0.91 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGPTPN1
SCHEMBL4043788 0.84 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGPTPN1
SCHEMBL4036485 0.84 PTGER1 (0.47) MRGPRX4RXRARXRBMCL1XDH
SCHEMBL27751880 0.83 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRGPTPN1
SCHEMBL544311 0.78 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGMCL1
SCHEMBL27869500 0.76 MRGPRX4 (0.40) MRGPRX4RXRARXRBRXRGPTPN1
SCHEMBL4041696 0.75 PTGER1 (0.44) MRGPRX4MCL1XDHPTGER1
SCHEMBL6591655 0.75 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGPTPN1
SCHEMBL544534 0.74 NOTUM (0.56) MRGPRX4MCL1PTGER1
SCHEMBL849231 0.74 RXRA (0.72) MRGPRX4RXRARXRBRXRGPTGER1

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