SCHEMBL4766025

SCHEMBL4766025

NC(=O)N(c1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.44
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL4768096 0.79 HRH3 (0.56) HRH3CYP2D6HRH1
SCHEMBL4793933 0.78 HRH3 (0.51) HRH3CYP2D6KDM2B
SCHEMBL4792086 0.78 FKBP1A (0.45) HRH3CYP2D6HRH1
SCHEMBL4791232 0.77 HRH3 (0.44) HRH3CYP2D6HRH1
SCHEMBL4792011 0.76 HRH3 (0.42) HRH3CYP2D6HRH1
SCHEMBL4777033 0.75 HRH3 (0.39) HRH3CYP2D6HRH1
SCHEMBL4793850 0.75 HRH3 (0.45) HRH3MCHR1KDM2B
SCHEMBL4791446 0.73 HRH3 (0.43) HRH3MCHR1CYP2D6KDM2B
SCHEMBL4775079 0.72 MEN1 (0.52) HRH3ALDH1A1MEN1KMT2AMCHR1
SCHEMBL4793665 0.72 MEN1 (0.43) HRH3ALDH1A1MEN1KMT2ACYP2D6

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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed