SCHEMBL3477289

SCHEMBL3477289

CN1CCC(C(CCN)c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.45
SSTR5 P35346 1/20 0.40
KCNH2 Q12809 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
GRIN2B Q13224 1/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36

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
SCHEMBL4078500 0.87 HRH4 (0.43) HRH4PARP1PARP2
SCHEMBL3478547 0.85 KCNH2 (0.36) SSTR5KCNH2PARP1
SCHEMBL4087266 0.85 HRH4 (0.44) HRH4PARP1PARP2
SCHEMBL4080120 0.85 PARP1 (0.41) HRH4SSTR5KCNH2PARP1PARP2
SCHEMBL3864328 0.74 HRH4 (0.43) HRH4
SCHEMBL4543952 0.73 HRH4 (0.57) HRH4SSTR5
SCHEMBL3477164 0.73 HRH4 (0.55) HRH4SSTR5KCNH2PTGDR2GRIN2B
SCHEMBL3476897 0.72 HRH4 (0.68) HRH4SSTR5KCNH2
SCHEMBL4537534 0.72 HRH4 (0.50) HRH4SSTR5
SCHEMBL3477162 0.71 HRH4 (0.61) HRH4SSTR5KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004188-B1 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-09-01 EP claimed