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SCHEMBL4023197

SCHEMBL4023197

c1ccc(Cn2nnnc2C(c2cccnc2)N2CCCN(C3CCC3)CC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 2/20 0.89
▸ ALDH1A1 P00352 1/20 0.89
▸ GAA P10253 1/20 0.89
▸ HRH3 Q9Y5N1 18/20 0.85
▸ SLC1A3 P43003 1/20 0.74
▸ 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
SCHEMBL29761972 0.94 SLC1A2 (1.00) SLC1A2ALDH1A1GAAHRH3SLC1A3
SCHEMBL4020966 0.92 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4025332 0.91 HRH3 (0.89) HRH3CYP3A4CYP2D6
SCHEMBL4021536 0.87 HRH3 (0.80) HRH3CYP2D6
SCHEMBL29761986 0.87 SLC1A2 (0.89) SLC1A2ALDH1A1GAAHRH3SLC1A3
SCHEMBL4019208 0.87 HRH3 (0.82) HRH3CYP2D6
SCHEMBL4020046 0.87 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4193300 0.86 HRH3 (0.78) HRH3CYP2D6
SCHEMBL4019973 0.86 HRH3 (0.80) SLC1A2ALDH1A1GAAHRH3CYP3A4
SCHEMBL4185684 0.86 HRH3 (0.78) 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 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