SCHEMBL4744303

SCHEMBL4744303

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1cccc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
KMT2A Q03164 1/20 0.48
GFER P55789 3/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CACNA1B Q00975 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KCNA5 P22460 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4743568 0.94 KMT2A (0.53) HTR7KMT2AGFERALDH1A1CYP2C19
SCHEMBL4744248 0.91 HTR7 (0.49) HTR7KMT2AGFERALDH1A1CYP2C19
SCHEMBL4745907 0.90 GFER (0.51) HTR7KMT2AGFERALDH1A1CACNA1B
SCHEMBL4746661 0.89 HTR7 (0.49) HTR7KMT2AGFERALDH1A1CACNA1B
SCHEMBL4743511 0.85 KMT2A (0.55) HTR7KMT2AGFERALDH1A1CACNA1B
SCHEMBL4743939 0.85 ALDH1A1 (0.61) HTR7KMT2AGFERALDH1A1SMN1; SMN2
SCHEMBL27881749 0.84 GFER (0.61) HTR7KMT2AGFERALDH1A1CYP2C19
SCHEMBL4744306 0.83 HTR7 (0.53) HTR7KMT2AGFERALDH1A1CYP2C19
SCHEMBL4747970 0.83 KMT2A (0.61) HTR7KMT2AGFERALDH1A1CYP2C19
SCHEMBL4744239 0.83 KMT2A (0.64) HTR7KMT2AGFERALDH1A1CYP2C19

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