SCHEMBL4039218

SCHEMBL4039218

Cc1ccccc1-c1ccc(C(=O)O)nc1-c1ccc(C(F)(F)F)c(OCCCN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.43
S1PR1 P21453 5/20 0.40
KDM4E B2RXH2 3/20 0.39
SYK P43405 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 1/20 0.37
CTSA P10619 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDK2 Q15119 1/20 0.36
RBP4 P02753 1/20 0.35
HRH1 P35367 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL544403 0.91 SLC6A9 (0.40) SLC6A9S1PR1KDM4ESYKCTSS
SCHEMBL912838 0.86 KDM4E (0.45) SLC6A9KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4043788 0.85 MRGPRX4 (0.43) S1PR1SYKCTSA
Hydrochloric Acid SCHEMBL543829 0.83 NTSR1 (0.39) SLC6A9S1PR1KDM4ESYKCTSA
Hydrochloric Acid SCHEMBL16493636 0.81 ATM (0.34) SLC6A9S1PR1KDM4ESYKCTSS
SCHEMBL27869502 0.81 S1PR1 (0.36) S1PR1KDM4ESYKCTSSCTSK
SCHEMBL2488871 0.79 SLC6A9 (0.46) SLC6A9KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL914386 0.78 SLC6A9 (0.45) SLC6A9KDM4EALDH1A1SMN1; SMN2
SCHEMBL544217 0.78 KDM4E (0.41) SLC6A9KDM4ECTSAALDH1A1SMN1; SMN2
SCHEMBL544311 0.78 MRGPRX4 (0.42) S1PR1SYKCTSA

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