SCHEMBL4832025

SCHEMBL4832025

N#Cc1ccc2c(c1)N(C(=O)c1ccc(OCCCN3CCCCC3)cc1)CCC2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.60
CACNA1B Q00975 2/20 0.56
HRH1 P35367 2/20 0.54
CYP2D6 P10635 1/20 0.54
HRH2 P25021 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
KCNH2 Q12809 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.48
CACNA1H O95180 1/20 0.48

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
SCHEMBL4225316 0.84 CACNA1B (0.74) HRH3CACNA1BALDH1A1POLBMAPT
SCHEMBL4831689 0.83 HRH3 (0.56) HRH3CACNA1BALDH1A1POLBMAPT
SCHEMBL4233071 0.82 ALDH1A1 (0.57) HRH3CACNA1BHRH1ALDH1A1POLB
SCHEMBL4224193 0.82 HRH3 (0.61) HRH3CACNA1BHRH1CYP2D6HRH2
Hydrochloric Acid SCHEMBL4233278 0.82 HRH3 (0.61) HRH3CACNA1BHRH1CYP2D6HRH2
SCHEMBL4233372 0.81 HRH3 (0.64) HRH3HRH1CYP2D6HRH2KCNH2
SCHEMBL4229736 0.81 HRH3 (0.63) HRH3HRH1CYP2D6HRH2KCNH2
SCHEMBL4229884 0.81 HRH3 (0.63) HRH3HRH1CYP2D6HRH2KCNH2
Hydrochloric Acid SCHEMBL4236165 0.80 HRH3 (0.65) HRH3HRH1CYP2D6HRH2KCNH2
Hydrochloric Acid SCHEMBL4239620 0.80 HRH3 (0.65) HRH3HRH1CYP2D6HRH2KCNH2

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
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US claimed