Sugi Predict

Sugi Predict / Compounds / SCHEMBL4970749

SCHEMBL4970749

SCHEMBL4970749

CNCCOc1cccc2c1[nH]c(=O)n2Cc1cccc(Cl)c1.CNCCOc1cccc2c1[nH]c(=O)n2Cc1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.53
▸ GRIN1 Q05586 13/20 0.44
▸ GRIN2B Q13224 13/20 0.44
▸ ADRA1D P25100 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PGR P06401 1/20 0.37

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
SCHEMBL3853104 0.91 HTR6 (0.54) HTR6GRIN1GRIN2BJAK2JAK3
SCHEMBL3862699 0.90 HTR6 (0.64) HTR6GRIN1GRIN2BADRA1DPGR
SCHEMBL3861989 0.84 HTR6 (0.58) HTR6GRIN1GRIN2B
SCHEMBL3854534 0.82 HTR6 (0.61) HTR6GRIN1GRIN2B
SCHEMBL3853377 0.82 HTR6 (0.66) HTR6GRIN1GRIN2B
SCHEMBL1136552 0.81 HTR6 (0.77) HTR6GRIN1GRIN2B
SCHEMBL3853619 0.80 HTR6 (0.64) HTR6ADRA1D
SCHEMBL3852232 0.75 GRIN1 (0.52) HTR6GRIN1GRIN2B
SCHEMBL3852425 0.74 HTR6 (0.57) HTR6GRIN1GRIN2B
SCHEMBL3855656 0.74 HTR6 (0.57) HTR6GRIN1GRIN2BPGR

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
EP-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 — — EP claimed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 — — WO claimed