SCHEMBL4020392

SCHEMBL4020392

c1ccc(Cn2nnnc2C(c2ccc(Oc3ccccc3)nc2)N2CCCN(C3CCC3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.81
CYP2D6 P10635 1/20 0.65

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
SCHEMBL4021411 0.89 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4024038 0.89 HRH3 (0.71) HRH3CYP2D6
SCHEMBL8023888 0.89 HRH3 (0.71) HRH3CYP2D6
SCHEMBL4021536 0.87 HRH3 (0.80) HRH3CYP2D6
SCHEMBL4185684 0.86 HRH3 (0.78) HRH3CYP2D6
SCHEMBL8024687 0.86 HRH3 (0.78) HRH3CYP2D6
SCHEMBL4193300 0.86 HRH3 (0.78) HRH3CYP2D6
SCHEMBL4202088 0.86 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4026425 0.85 HRH3 (0.75) HRH3CYP2D6
SCHEMBL4020966 0.85 HRH3 (1.00) HRH3CYP2D6

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
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO claimed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO disclosed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO disclosed