SCHEMBL4160127

SCHEMBL4160127

Cc1nc2ccccc2n1-c1ccc(C[N+]2([C@H]3CCNC3)CCC[C@@H]2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HRH3 Q9Y5N1 16/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ HRH1 P35367 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL4175289 0.78 HRH3 (0.46) MAPK1HTTHRH3KCNH2
SCHEMBL4166236 0.72 MAPK1 (0.43) MAPK1HTTHRH3PTAFRKCNH2
SCHEMBL9257140 0.66 MAPK1 (0.70) MAPK1HTTHRH3
SCHEMBL3670242 0.65 HRH3 (0.65) HRH3KCNH2
SCHEMBL14000448 0.65 HRH3 (0.65) HRH3KCNH2
SCHEMBL3670248 0.65 HRH3 (0.65) HRH3KCNH2
SCHEMBL3737389 0.64 HRH3 (0.67) HRH3KCNH2
SCHEMBL3670278 0.64 HRH3 (0.69) HRH3PTAFRKCNH2
SCHEMBL3670282 0.64 HRH3 (0.69) HRH3PTAFRKCNH2
SCHEMBL3675661 0.64 HRH3 (0.69) HRH3PTAFRKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP claimed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO claimed
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