SCHEMBL4744248

SCHEMBL4744248

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
KMT2A Q03164 2/20 0.48
GFER P55789 3/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CACNA1B Q00975 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 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
SCHEMBL4743511 0.94 KMT2A (0.55) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4745907 0.93 GFER (0.51) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4746661 0.92 HTR7 (0.49) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4744303 0.91 HTR7 (0.48) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4747346 0.88 KMT2A (0.53) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4743939 0.88 ALDH1A1 (0.61) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4743568 0.87 KMT2A (0.53) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4744239 0.86 KMT2A (0.64) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4745885 0.86 KMT2A (0.47) HTR7KMT2AGFERHTTNPSR1
SCHEMBL4747356 0.86 HTR7 (0.51) HTR7KMT2AGFERHTTNPSR1

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