SCHEMBL7952755

SCHEMBL7952755

CN1CC(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)C=N1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.49
KDM2B Q8NHM5 3/20 0.44
HRH1 P35367 1/20 0.42
HDAC6 Q9UBN7 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 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
SCHEMBL7948137 0.88 HRH3 (0.48) HRH3KDM2BHRH1HDAC6
SCHEMBL7946209 0.82 HRH3 (0.48) HRH3KDM2BHRH1HDAC6OPRM1
SCHEMBL1789796 0.81 HRH3 (0.54) HRH3KDM2BHDAC6
SCHEMBL1788776 0.81 HRH3 (0.54) HRH3KDM2BHDAC6
SCHEMBL1787705 0.81 HRH3 (0.61) HRH3KDM2BHRH1HDAC6
SCHEMBL1789719 0.80 HRH3 (0.53) HRH3KDM2BHDAC6
SCHEMBL1789861 0.79 HRH3 (0.48) HRH3KDM2BHRH1HDAC6
SCHEMBL7947041 0.79 HRH3 (0.48) HRH3KDM2BHRH1HDAC6
SCHEMBL2822496 0.79 HRH3 (0.56) HRH3KDM2BHRH1HDAC6
SCHEMBL1788539 0.78 HRH3 (0.51) HRH3KDM2BHDAC6

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