SCHEMBL4744309

SCHEMBL4744309

O=C1CSC(c2ccc(C(F)(F)F)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
GFER P55789 4/20 0.55
HTR7 P34969 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL4747364 0.90 CA1 (0.50) CA1CA2CA9GFERHTR7
SCHEMBL4747362 0.89 CA1 (0.57) CA1CA2CA9GFERHTR7
SCHEMBL4746798 0.88 CA1 (0.48) CA1CA2CA9GFERHTR7
SCHEMBL4747309 0.87 HTR7 (0.72) CA1CA2CA9GFERHTR7
SCHEMBL4743511 0.87 KMT2A (0.55) CA1CA2CA9GFERHTR7
SCHEMBL4747353 0.86 KMT2A (0.52) CA1CA2CA9GFERHTR7
SCHEMBL4747357 0.85 PTGS2 (0.61) CA1CA2CA9GFERHTR7
SCHEMBL4745920 0.85 CA1 (0.60) CA1CA2CA9GFERHTR7
SCHEMBL4747947 0.85 GFER (0.72) CA1CA2CA9GFERHTR7
SCHEMBL4743532 0.84 GFER (0.70) CA1CA2CA9GFERHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed