SCHEMBL4258986

SCHEMBL4258986

Cc1cccc2c1nc(-c1ccnc(NC(=O)CCCC3CCN(C)CC3)c1)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY1R P25929 8/20 0.43
ROCK1 Q13464 1/20 0.41
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
WEE1 P30291 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
HBB P68871 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ACHE P22303 1/20 0.39
FAAH O00519 2/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL3477939 0.83 HRH4 (0.53) NPC1SMN1; SMN2RAB9AMEN1TP53
SCHEMBL3475607 0.77 HRH4 (0.54) NPC1SMN1; SMN2RAB9AMEN1TP53
SCHEMBL3476758 0.76 HRH4 (0.50) NPC1SMN1; SMN2RAB9AMEN1TP53
SCHEMBL3475739 0.73 MEN1 (0.48) NPC1SMN1; SMN2RAB9AMEN1TP53
SCHEMBL3477290 0.73 HRH4 (0.55) NPC1SMN1; SMN2RAB9AMEN1TP53
SCHEMBL3475790 0.71 BACE1 (0.41) NPC1SMN1; SMN2RAB9AMEN1TP53
SCHEMBL4257928 0.68 NPY1R (0.43) NPY1RHRH4
SCHEMBL3477393 0.66 HRH4 (0.63) NPY1RHRH4
SCHEMBL3476997 0.65 HRH4 (0.47) FAAHHRH4
SCHEMBL3477072 0.64 FAAH (0.56) NPC1SMN1; SMN2RAB9AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009532367-A 2009-09-10 JP claimed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP claimed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO claimed