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SCHEMBL4021482

SCHEMBL4021482

CS(=O)(=O)c1ccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 1.00
▸ CYP2D6 P10635 2/20 0.73

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
SCHEMBL4022966 0.98 HRH3 (0.97) HRH3CYP2D6
SCHEMBL4027275 0.91 HRH3 (1.00) HRH3CYP2D6
SCHEMBL8026199 0.89 HRH3 (0.85) HRH3CYP2D6
SCHEMBL4020966 0.89 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4193787 0.88 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4020046 0.87 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4018816 0.87 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4024299 0.87 HRH3 (1.00) HRH3CYP2D6
Lithium Ion SCHEMBL4188650 0.86 HRH3 (0.84) HRH3CYP2D6
SCHEMBL4025332 0.86 HRH3 (0.89) 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