SCHEMBL4743936

SCHEMBL4743936

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
HTR7 P34969 1/20 0.51
GFER P55789 2/20 0.50
METAP1 P53582 1/20 0.48
KMT2A Q03164 1/20 0.47
CACNA1B Q00975 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4747311 0.90 CA1 (0.54) CA1CA2CA9HTR7GFER
SCHEMBL4743511 0.88 KMT2A (0.55) CA1CA2CA9HTR7GFER
SCHEMBL4747985 0.87 CA1 (0.61) CA1CA2CA9HTR7GFER
SCHEMBL4747360 0.86 HTR7 (0.56) CA1CA2CA9HTR7GFER
SCHEMBL4747274 0.86 HTR7 (0.53) CA1CA2CA9HTR7GFER
SCHEMBL4747991 0.86 CA1 (0.53) CA1CA2CA9HTR7GFER
SCHEMBL4743953 0.85 GFER (0.60) CA1CA2CA9HTR7GFER
SCHEMBL4747356 0.83 HTR7 (0.51) CA1CA2CA9HTR7GFER
SCHEMBL4743942 0.82 HTR7 (0.59) CA1CA2CA9HTR7GFER
SCHEMBL4744293 0.82 GFER (0.56) CA1CA2CA9HTR7GFER

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-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