SCHEMBL3950574

SCHEMBL3950574

Cc1cc(Cl)c2nc(-c3cnc(C(CCN)C4CCN(C)CC4)nc3C)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.46
SSTR5 P35346 8/20 0.36
SSTR2 P30874 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3950565 0.83 HRH4 (0.54) HRH4SSTR5SSTR2KCNH2
SCHEMBL16266191 0.82 HRH4 (0.59) HRH4SSTR2KCNH2
SCHEMBL4543952 0.82 HRH4 (0.57) HRH4SSTR5
SCHEMBL2911883 0.78 HRH4 (0.41) HRH4SSTR2KCNH2
SCHEMBL3897392 0.76 HRH4 (0.49) HRH4SSTR5SSTR2KCNH2
SCHEMBL4537534 0.73 HRH4 (0.50) HRH4SSTR5
SCHEMBL2914884 0.72 HRH4 (0.84) HRH4
SCHEMBL16266193 0.69 HRH4 (0.66) HRH4SSTR2KCNH2
SCHEMBL4080120 0.68 PARP1 (0.41) HRH4SSTR5KCNH2
SCHEMBL17808691 0.66 HRH4 (0.80) HRH4SSTR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007752-A4 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
EP-2007752-A2 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-31 EP claimed
WO-2007117399-A2 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO claimed