SCHEMBL6567238

SCHEMBL6567238

BrCc1ccc(CBr)cc1.CC(=O)c1ccc(OCc2ccc(CN3CCC(C)CC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.69
HRH4 Q9H3N8 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.54
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL491584 0.94 HRH3 (0.77) HRH3HRH4SMN1; SMN2MAOBMAOA
SCHEMBL491606 0.83 HRH3 (0.78) HRH3HRH4SMN1; SMN2NPC1RAB9A
SCHEMBL1335914 0.82 HRH3 (1.00) HRH3HRH4MAOBMAOA
SCHEMBL12128667 0.81 HRH3 (1.00) HRH3HRH4
SCHEMBL492424 0.80 HRH3 (0.75) HRH3HRH4SMN1; SMN2MAOBMAOA
SCHEMBL491078 0.80 HRH3 (0.75) HRH3HRH4SMN1; SMN2MAOBMAOA
SCHEMBL492101 0.76 HRH3 (0.69) HRH3HRH4SMN1; SMN2MAOBMAOA
SCHEMBL14032560 0.74 HRH3 (0.56) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL22066893 0.74 HRH2 (0.65) HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL491570 0.73 HRH3 (0.72) HRH3KDM4EALDH1A1LMNA

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-1428820-A1 Non-imidazole alkylamines as histamine H-3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2004-06-16 EP disclosed