SCHEMBL4827043

SCHEMBL4827043

N#Cc1ccc2c(c1)CCN(C(=O)c1ccc(OCCCN3CCCCC3)cc1)CC2.O=C(c1ccc(OCCCN2CCCCC2)cc1)N1Cc2cccc(F)c2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.51
CYP2D6 P10635 1/20 0.51
HRH1 P35367 1/20 0.51
KCNH2 Q12809 2/20 0.49
TRAP1 Q12931 3/20 0.46
CACNA1B Q00975 1/20 0.46
HSP90B1 P14625 1/20 0.45
KCNA5 P22460 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL4224193 0.88 HRH3 (0.61) HRH3CYP2D6HRH1KCNH2CACNA1B
Hydrochloric Acid SCHEMBL4233278 0.87 HRH3 (0.61) HRH3CYP2D6HRH1KCNH2CACNA1B
SCHEMBL4233013 0.87 HRH3 (0.59) HRH3HRH1KCNH2TRAP1CACNA1B
SCHEMBL4229884 0.86 HRH3 (0.63) HRH3CYP2D6HRH1KCNH2CYP3A4
SCHEMBL4229736 0.86 HRH3 (0.63) HRH3CYP2D6HRH1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL4229800 0.86 HRH3 (0.58) HRH3CYP2D6HRH1KCNH2TRAP1
Hydrochloric Acid SCHEMBL4233207 0.85 HRH3 (0.65) HRH3CYP2D6HRH1KCNH2
Hydrochloric Acid SCHEMBL4239620 0.85 HRH3 (0.65) HRH3CYP2D6HRH1KCNH2
SCHEMBL4233372 0.83 HRH3 (0.64) HRH3CYP2D6HRH1KCNH2KCNA5
Hydrochloric Acid SCHEMBL4236165 0.82 HRH3 (0.65) HRH3CYP2D6HRH1KCNH2KCNA5

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 3 patents. 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
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP claimed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO claimed