SCHEMBL1895436

CCN(CC)CCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1.CCN(CC)CCOc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C.Cc1c(OCCN2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C.Cc1c(OCCN2CCOCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C.Cc1cc(OCCN2CCC(N)C2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(OCCN2CCNCC2)nn1-c1ccc(Cl)c(Cl)c1.Clc1ccc(-n2ccc(OCCCN3CCCC3)n2)cc1Cl.Clc1ccc(-n2ccc(OCCN3CCCC3)n2)cc1Cl.Clc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl.Clc1ccc(-n2ccc(OCCN3CCOCC3)n2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SIGMAR1	Q99720	19/20	0.50

▸	KCNH2	Q12809	1/20	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
SCHEMBL1897665	0.81	SIGMAR1 (0.71)	SIGMAR1KCNH2
SCHEMBL20608278	0.77	SIGMAR1 (0.71)	SIGMAR1KCNH2
SCHEMBL467159	0.72	SIGMAR1 (0.77)	SIGMAR1KCNH2
SCHEMBL20608309	0.71	SIGMAR1 (0.77)	SIGMAR1KCNH2
SCHEMBL466975	0.71	SIGMAR1 (1.00)	SIGMAR1KCNH2
SCHEMBL5184010	0.70	SIGMAR1 (0.58)	SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1897658	0.70	SIGMAR1 (0.98)	SIGMAR1KCNH2
SCHEMBL466893	0.70	SIGMAR1 (0.81)	SIGMAR1KCNH2
SCHEMBL467235	0.70	SIGMAR1 (1.00)	SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1900361	0.69	SIGMAR1 (0.80)	SIGMAR1KCNH2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2325174-A1	Sigma receptor inhibitors	Laboratorios Del. Dr. Esteve, S.A. (ES)	2011-05-25	—	—	EP	claimed