SCHEMBL4744251

SCHEMBL4744251

COc1ccc(N2C(=O)CSC2c2cccc(C(F)(F)F)c2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.71
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.54
MAPK1 P28482 1/20 0.49

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
SCHEMBL4747938 0.85 HTR7 (0.73) HTR7
SCHEMBL4747970 0.85 KMT2A (0.61) HTR7CYP3A4CYP2C19KMT2A
SCHEMBL4747942 0.85 KMT2A (0.74) HTR7CYP3A4CYP2C19KMT2A
SCHEMBL19306066 0.84 HTR7 (0.81) HTR7
SCHEMBL30876409 0.83 HTR7 (1.00) HTR7
SCHEMBL19306044 0.83 HTR7 (1.00) HTR7
SCHEMBL4746803 0.82 KMT2A (0.70) HTR7CYP3A4CYP2C19KMT2A
SCHEMBL19306464 0.81 HTR7 (1.00) HTR7KMT2A
SCHEMBL19317334 0.81 HTR7 (0.83) HTR7CYP3A4CYP2C19KMT2A
SCHEMBL30876370 0.81 HTR7 (1.00) HTR7KMT2A

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