SCHEMBL3727210

CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCNC1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)C2CCNCC2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCNC2)cc1.Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCNC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	PTAFR	P25105	1/20	0.59

▸	HRH3	Q9Y5N1	19/20	0.54

▸	KCNH2	Q12809	3/20	0.49

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.

Compound	similarity	top predicted	shared targets
SCHEMBL3731172	0.86	PTAFR (0.75)	PTAFRHRH3
SCHEMBL4937155	0.86	PTAFR (0.75)	PTAFRHRH3
Hydrochloric Acid SCHEMBL4942878	0.85	PTAFR (0.74)	PTAFRHRH3
Hydrochloric Acid SCHEMBL4942870	0.85	PTAFR (0.74)	PTAFRHRH3
SCHEMBL3725793	0.85	HRH3 (0.67)	PTAFRHRH3
SCHEMBL3725794	0.85	HRH3 (0.67)	PTAFRHRH3
Hydrochloric Acid SCHEMBL4943299	0.84	HRH3 (0.66)	PTAFRHRH3
Hydrochloric Acid SCHEMBL4943306	0.84	HRH3 (0.66)	PTAFRHRH3
SCHEMBL3726475	0.84	PTAFR (0.81)	PTAFRHRH3
SCHEMBL3670278	0.84	HRH3 (0.69)	PTAFRHRH3KCNH2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2155719-A1	AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS	Wyeth LLC (US)	2010-02-24	—	—	EP	disclosed
WO-2008147945-A1	AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS	WYETH (US)	2008-12-04	—	—	WO	disclosed