SCHEMBL4166236

SCHEMBL4166236

Cc1nc2ccccc2n1-c1ccc(CC2CCCN2C2CCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HRH3 Q9Y5N1 16/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ ADAM17 P78536 1/20 0.40
▸ PTAFR P25105 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL4793698 0.79 KCNH2 (0.39) HTTKCNH2
SCHEMBL4161023 0.79 HRH3 (0.52) MAPK1HTTHRH3KCNH2
SCHEMBL4237634 0.77 SLC6A2 (0.50) —
SCHEMBL3724429 0.77 SLC6A2 (0.50) —
SCHEMBL4160127 0.72 MAPK1 (0.41) MAPK1HTTHRH3KCNH2PTAFR
SCHEMBL5226803 0.71 SPHK1 (0.40) KCNH2
SCHEMBL5193918 0.71 HTR3A (0.40) KCNH2
SCHEMBL1810499 0.70 HRH3 (0.47) MAPK1HTTHRH3KCNH2ADAM17
SCHEMBL4014376 0.70 HRH3 (0.49) MAPK1HTTHRH3KCNH2
SCHEMBL4764592 0.70 HRH3 (0.54) HRH3KCNH2PTAFR

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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