SCHEMBL4014376

SCHEMBL4014376

Cc1nc2ccccc2n1-c1ccc(C(=O)[C@]2(C)CCCN2[C@H]2CCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.49
▸ KCNH2 Q12809 3/20 0.47
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL4161023 0.78 HRH3 (0.52) HRH3KCNH2MAPK1HTTHSD17B10
SCHEMBL14000448 0.73 HRH3 (0.65) HRH3KCNH2HSD17B10
SCHEMBL3670242 0.73 HRH3 (0.65) HRH3KCNH2HSD17B10
SCHEMBL3670248 0.73 HRH3 (0.65) HRH3KCNH2HSD17B10
SCHEMBL3675661 0.72 HRH3 (0.69) HRH3KCNH2
SCHEMBL3670278 0.72 HRH3 (0.69) HRH3KCNH2
SCHEMBL3670282 0.72 HRH3 (0.69) HRH3KCNH2
Hydrochloric Acid SCHEMBL3724199 0.71 HRH3 (0.68) HRH3KCNH2
Hydrochloric Acid SCHEMBL3724197 0.71 HRH3 (0.68) HRH3KCNH2
Hydrochloric Acid SCHEMBL4944586 0.71 HRH3 (0.68) HRH3KCNH2

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 disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO disclosed
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