SCHEMBL4964913

SCHEMBL4964913

O=C1[N]c2c(cc(Cc3ccccc3)cc2OC2CN(C(c3ccccc3)c3ccccc3)C2)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
PDE9A O76083 1/20 0.34
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX7 Q99572 1/20 0.30
HRH1 P35367 1/20 0.30
ATM Q13315 1/20 0.30
ACHE P22303 1/20 0.30

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 0.82 SLC6A4 (0.41) HTR2BHRH1
SCHEMBL4964772 0.80 HRH1 (0.51) HRH1
Hydrochloric Acid SCHEMBL4964910 0.71 KIT (0.39)
SCHEMBL4964287 0.69 HRH1 (0.43) HRH1
SCHEMBL4964731 0.69 KIT (0.42) HRH1
SCHEMBL4963979 0.68 IDH1 (0.44)
SCHEMBL4963958 0.68 HRH1 (0.49) HRH1
SCHEMBL4963926 0.67 ATM (0.36) SCN9ATIPARPATM
SCHEMBL4966050 0.66 GABRA1 (0.38) HRH1
SCHEMBL4966480 0.66 TAAR1 (0.46)

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 disclosed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed