SCHEMBL5142128

CC1CCN(Cc2ccccc2)CC1C(N)C1CN(Cc2ccccc2)CCC1C.Cc1ccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	2/20	0.45

▸	HRH1	P35367	1/20	0.43

▸	KCNH2	Q12809	1/20	0.42

▸	BCHE	P06276	2/20	0.42

▸	ACHE	P22303	2/20	0.42

▸	BACE1	P56817	1/20	0.42

▸	S1PR5	Q9H228	1/20	0.41

▸	ALDH1A1	P00352	1/20	0.40

▸	MAPK1	P28482	1/20	0.40

▸	DRD2	P14416	1/20	0.40

▸	DRD4	P21917	1/20	0.40

▸	SMN1; SMN2	Q16637	1/20	0.40

▸	CHRM2	P08172	1/20	0.40

▸	CHRM3	P20309	1/20	0.40

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
SCHEMBL1846475	0.85	GAA (0.46)	GAAHRH1KCNH2BCHEACHE
SCHEMBL29601945	0.83	GAA (0.48)	GAAHRH1KCNH2BCHEACHE
SCHEMBL2148134	0.83	GAA (0.48)	GAAHRH1KCNH2BCHEACHE
SCHEMBL2320052	0.82	ACHE (0.55)	BCHEACHEBACE1ALDH1A1DRD2
SCHEMBL22497322	0.78	SCN4A (0.47)	BCHEACHEDRD2DRD4CHRM2
SCHEMBL30894560	0.76	ACHE (0.43)	GAABCHEACHECHRM2CHRM3
SCHEMBL29631582	0.73	MCHR1 (0.46)	ACHEDRD2DRD4CHRM2CHRM3
SCHEMBL1995214	0.72	SCN4A (0.47)	BCHEACHEBACE1ALDH1A1DRD2
SCHEMBL29700729	0.71	GAA (0.44)	GAAKCNH2BCHEACHEBACE1
SCHEMBL12384460	0.71	ACHE (0.57)	BCHEACHEBACE1ALDH1A1DRD2

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
WO-2008029237-A2	COMBINATION THERAPIES FOR RHEUMATOID ARTHRITIS	PFIZER PRODUCTS INC. (US)	2008-03-13	—	—	WO	disclosed