SCHEMBL2429871

O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1	P35367	20/20	0.64

▸	ADRA1A	P35348	18/20	0.64

▸	ADRA1B	P35368	18/20	0.64

▸	KCNH2	Q12809	14/20	0.64

▸	HRH3	Q9Y5N1	9/20	0.64

▸	CYP3A4	P08684	3/20	0.54

▸	CYP2D6	P10635	2/20	0.54

▸	HRH2	P25021	2/20	0.54

▸	CYP2C9	P11712	2/20	0.54

▸	CYP2C19	P33261	2/20	0.54

▸	HRH4	Q9H3N8	1/20	0.54

▸	HTR2B	P41595	1/20	0.54

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
SCHEMBL2430493	0.92	HRH1 (0.74)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL4791221	0.85	ADRA1A (0.66)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2429351	0.85	ADRA1A (0.66)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2430475	0.85	ADRA1A (0.66)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2436781	0.84	ADRA1A (0.73)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2432595	0.80	HRH1 (0.79)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2428385	0.79	HRH1 (0.81)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL14155532	0.78	HRH1 (0.83)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2990460	0.78	HRH1 (0.83)	HRH1ADRA1AADRA1BKCNH2HRH3
SCHEMBL2994070	0.78	HRH1 (0.80)	HRH1ADRA1AADRA1BKCNH2HRH3

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-2215082-B1	PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS	GLAXO GROUP LTD (GB)	2011-09-21	—	—	EP	disclosed