SCHEMBL4977909

SCHEMBL4977909

O=C1[N]c2c(cc(Cc3cccc(F)c3F)cc2C2CCNC2)N1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.34
CHRM1 P11229 2/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
HTR1A P08908 3/20 0.32
SLC6A3 Q01959 3/20 0.32
MPO P05164 1/20 0.31
ALK Q9UM73 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
SCHEMBL4977286 0.84 HTR6 (0.38) SLC6A2SLC6A4HTR1ASLC6A3MPO
SCHEMBL4966050 0.82 GABRA1 (0.38) SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL4966442 0.81 GABRA1 (0.38) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4965972 0.78 HTR6 (0.44) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4965409 0.71 GABRA1 (0.40) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4967691 0.67 HTR6 (0.39) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL1824314 0.66 CHRNB2 (0.49) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4964731 0.64 KIT (0.42) CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL4303824 0.64 TNKS (0.37)
SCHEMBL3880927 0.63 CHRM1 (0.38) CHRM1SLC6A2SLC6A4HTR1ASLC6A3

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