SCHEMBL4745907

SCHEMBL4745907

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1cccc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
HTR7 P34969 2/20 0.50
KMT2A Q03164 1/20 0.47
CACNA1B Q00975 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4746661 0.95 HTR7 (0.49) GFERCA1CA2CA9HTR7
SCHEMBL4744248 0.93 HTR7 (0.49) GFERCA1CA2CA9HTR7
SCHEMBL4744303 0.90 HTR7 (0.48) GFERCA1CA2CA9HTR7
SCHEMBL4747346 0.87 KMT2A (0.53) GFERCA1CA2CA9HTR7
SCHEMBL4743511 0.87 KMT2A (0.55) GFERCA1CA2CA9HTR7
SCHEMBL27881749 0.86 GFER (0.61) GFERCA1CA2CA9HTR7
SCHEMBL4744306 0.85 HTR7 (0.53) GFERCA1CA2CA9HTR7
SCHEMBL4747970 0.85 KMT2A (0.61) GFERHTR7KMT2ACACNA1BPOLB
SCHEMBL4743939 0.84 ALDH1A1 (0.61) GFERCA1CA2CA9HTR7
SCHEMBL4743568 0.84 KMT2A (0.53) GFERCA1CA2CA9HTR7

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