SCHEMBL7947041

SCHEMBL7947041

O=C(NCC1C=COC1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.48
KDM2B Q8NHM5 2/20 0.43
HDAC6 Q9UBN7 2/20 0.40
HRH1 P35367 1/20 0.39

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
SCHEMBL1789796 0.82 HRH3 (0.54) HRH3KDM2BHDAC6
SCHEMBL1788776 0.82 HRH3 (0.54) HRH3KDM2BHDAC6
SCHEMBL1789719 0.81 HRH3 (0.53) HRH3KDM2BHDAC6
SCHEMBL1787578 0.80 NAMPT (0.51) HRH3KDM2B
SCHEMBL1790106 0.80 HRH3 (0.50) HRH3KDM2B
SCHEMBL1791888 0.80 NAMPT (0.53) HRH3KDM2B
SCHEMBL1789812 0.79 KMT2A (0.60)
SCHEMBL1787705 0.79 HRH3 (0.61) HRH3KDM2BHDAC6HRH1
SCHEMBL1787154 0.79 HRH3 (0.47) HRH3KDM2B
SCHEMBL7952755 0.79 HRH3 (0.49) HRH3KDM2BHDAC6HRH1

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