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SCHEMBL4027922

SCHEMBL4027922

COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.83
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ KDM4E B2RXH2 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ HTT P42858 1/20 0.74
▸ NPSR1 Q6W5P4 1/20 0.74
▸ CYP2D6 P10635 1/20 0.67

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
SCHEMBL4018413 0.91 HRH3 (1.00) HRH3
SCHEMBL8026068 0.91 HRH3 (1.00) HRH3
SCHEMBL4023931 0.89 HRH3 (0.85) HRH3
SCHEMBL4020966 0.88 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4023048 0.88 HRH3 (1.00) HRH3CYP2D6
SCHEMBL4021657 0.87 HRH3 (0.82) HRH3CYP2D6
SCHEMBL29761952 0.85 NPSR1 (0.90) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4019208 0.85 HRH3 (0.82) HRH3CYP2D6
SCHEMBL8022551 0.85 HRH3 (0.82) HRH3CYP2D6
SCHEMBL4028362 0.85 HRH3 (0.82) 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