SCHEMBL5733174

SCHEMBL5733174

Clc1cc(OC2CCN(C3CCC3)CC2)ccc1N1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
HRH1 P35367 10/20 0.47
CCR3 P51677 10/20 0.47
KCNH2 Q12809 3/20 0.47
CYP2D6 P10635 1/20 0.46
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44

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
SCHEMBL4228844 0.80 HRH3 (0.63) HRH3HRH1CCR3KCNH2
Hydrochloric Acid SCHEMBL4234987 0.79 HRH3 (0.62) HRH3HRH1CCR3KCNH2
SCHEMBL4229745 0.74 HRH3 (0.60) HRH3HRH1CCR3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL4228531 0.72 HRH3 (0.72) HRH3HRH1CCR3KCNH2
Hydrochloric Acid SCHEMBL4229879 0.72 HRH3 (0.72) HRH3HRH1CCR3KCNH2
SCHEMBL4233234 0.71 HRH3 (0.63) HRH3HRH1KCNH2CYP2D6
Hydrochloric Acid SCHEMBL4233282 0.71 HRH3 (0.65) HRH3HRH1KCNH2CYP2D6
SCHEMBL430313 0.70 HRH3 (0.53) HRH3KCNH2CYP2D6
SCHEMBL2822372 0.70 HRH3 (0.61) HRH3KCNH2
SCHEMBL4224609 0.70 HRH3 (0.58) HRH3HRH1CCR3KCNH2CYP2D6

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-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP claimed