SCHEMBL4012243

SCHEMBL4012243

O=C(CCc1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.50
KCNH2 Q12809 1/20 0.38
ME2 P23368 2/20 0.38
ME1 P48163 2/20 0.38
ME3 Q16798 2/20 0.38
CNR1 P21554 1/20 0.38
PRLHR P49683 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37

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
SCHEMBL13962556 0.94 GPBAR1 (0.45) GPBAR1PTGDR2
SCHEMBL13962993 0.88 GPBAR1 (0.44) GPBAR1PTGDR2
SCHEMBL4007085 0.83 PTGDR2 (0.42) PTGDR2
SCHEMBL31018181 0.82 L3MBTL1 (0.40) PRLHRPTGDR2
SCHEMBL21612764 0.82 L3MBTL1 (0.40) PRLHRPTGDR2
SCHEMBL21615973 0.81 KMT2A (0.41) GPBAR1PRLHR
SCHEMBL31018186 0.78 TRPV1 (0.39) PRLHRPTGDR2
SCHEMBL3099388 0.78 TRPV1 (0.39) PRLHRPTGDR2
SCHEMBL3099369 0.78 TRPV1 (0.39) PRLHRPTGDR2
SCHEMBL4012387 0.77 ENPP2 (0.35) GPBAR1PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed