SCHEMBL7948077

SCHEMBL7948077

CC1OC(c2ccccc2)=NC1CNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.44
CYP2D6 P10635 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH1 P35367 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7939650 0.77 HRH3 (0.46) HRH3CYP2D6HRH1KDM2B
SCHEMBL1788042 0.77 MAPT (0.52) HRH3
SCHEMBL1788806 0.76 HRH3 (0.54) HRH3CYP2D6KDM2B
SCHEMBL1788776 0.76 HRH3 (0.54) HRH3HDAC6KDM2B
SCHEMBL1789796 0.76 HRH3 (0.54) HRH3HDAC6KDM2B
SCHEMBL1787705 0.75 HRH3 (0.61) HRH3CYP2D6HDAC6HRH1KDM2B
SCHEMBL1788398 0.75 HRH3 (0.46) HRH3CYP2D6HDAC6HRH1KDM2B
SCHEMBL1789719 0.75 HRH3 (0.53) HRH3HDAC6KDM2B
SCHEMBL1788748 0.74 SMN1; SMN2 (0.56) HRH3CYP2D6HDAC6
SCHEMBL1790106 0.74 HRH3 (0.50) HRH3KDM2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed