SCHEMBL3477249

SCHEMBL3477249

CCC(C(=O)Nc1cc(-c2nc3c(C)cc(C)cc3[nH]2)ccn1)C1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.43
KCNH2 Q12809 2/20 0.38
CARM1 Q86X55 1/20 0.37
DHODH Q02127 3/20 0.37
ABL1 P00519 1/20 0.37
GSK3B P49841 8/20 0.37
DYRK1A Q13627 2/20 0.36
SSTR2 P30874 1/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
RHEB Q15382 1/20 0.36
WNT1 P04628 1/20 0.35

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
SCHEMBL3475607 0.82 HRH4 (0.54) HRH4DHODHGSK3BRHEB
SCHEMBL3477250 0.75 HRH4 (0.40) HRH4KCNH2CARM1DHODHGSK3B
SCHEMBL3477813 0.75 HRH4 (0.63) HRH4KCNH2CARM1DHODHSSTR2
SCHEMBL3477939 0.72 HRH4 (0.53) HRH4GSK3B
SCHEMBL605436 0.71 HRH4 (0.55) HRH4KCNH2CARM1DHODHSSTR2
SCHEMBL3476758 0.71 HRH4 (0.50) HRH4KCNH2GSK3B
SCHEMBL3476926 0.71 HRH4 (0.55) HRH4KCNH2CARM1DHODHSSTR2
Hydrochloric Acid SCHEMBL4480586 0.70 HRH4 (0.55) HRH4KCNH2CARM1DHODHSSTR2
SCHEMBL3476927 0.70 HRH4 (0.52) HRH4KCNH2CARM1DHODHSSTR2
Hydrochloric Acid SCHEMBL3478395 0.69 HRH4 (0.51) HRH4KCNH2CARM1DHODHSSTR2

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 disclosed