SCHEMBL4161023

SCHEMBL4161023

Cc1nc2ccccc2n1-c1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.52
▸ KCNH2 Q12809 3/20 0.49
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4764592 0.85 HRH3 (0.54) HRH3KCNH2
SCHEMBL4169608 0.84 SLC6A4 (0.37) HRH3KCNH2
SCHEMBL4166236 0.79 MAPK1 (0.43) HRH3KCNH2MAPK1HTT
SCHEMBL1814722 0.79 KHK (0.44) —
SCHEMBL1813625 0.79 SLC6A4 (0.37) HRH3
SCHEMBL4013186 0.79 SLC6A4 (0.37) HRH3
SCHEMBL4889725 0.78 KCNH2 (0.42) HRH3KCNH2HTT
SCHEMBL4014376 0.78 HRH3 (0.49) HRH3KCNH2MAPK1HTTHSD17B10
SCHEMBL4793576 0.77 MEN1 (0.40) KCNH2
SCHEMBL4792764 0.76 ADAM17 (0.46) HRH3HTT

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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