SCHEMBL4021657

SCHEMBL4021657

Fc1cccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.82
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70

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
SCHEMBL4020966 0.91 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4023048 0.90 HRH3 (1.00) HRH3CYP3A4CYP2D6
SCHEMBL4018816 0.90 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4176012 0.89 HRH3 (0.85) HRH3
SCHEMBL4184767 0.88 HRH3 (1.00) HRH3
SCHEMBL8026068 0.88 HRH3 (1.00) HRH3
SCHEMBL4018413 0.88 HRH3 (1.00) HRH3
SCHEMBL4020768 0.88 HRH3 (0.79) HRH3CYP3A4CYP2D6
SCHEMBL4188339 0.88 HRH3 (0.85) HRH3
SCHEMBL4028362 0.87 HRH3 (0.82) HRH3CYP3A4CYP2D6

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 2 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