SCHEMBL4964772

SCHEMBL4964772

O=C1[N]c2c(cc(Cc3ccccc3)cc2OC2CCNCC2)N1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.51
NMT1 P30419 8/20 0.46

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
SCHEMBL4964869 0.89 SLC6A4 (0.41) HRH1
SCHEMBL4964731 0.81 KIT (0.42) HRH1
SCHEMBL4964913 0.80 SCN9A (0.37) HRH1
SCHEMBL4966050 0.79 GABRA1 (0.38) HRH1
Hydrochloric Acid SCHEMBL4966442 0.78 GABRA1 (0.38) HRH1
Hydrochloric Acid SCHEMBL4964910 0.77 KIT (0.39)
SCHEMBL4966480 0.74 TAAR1 (0.46)
SCHEMBL4964287 0.73 HRH1 (0.43) HRH1
SCHEMBL4965972 0.72 HTR6 (0.44)
SCHEMBL4963979 0.72 IDH1 (0.44)

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 4 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
EP-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed