SCHEMBL21697577

COc1c(Cc2cc3ccccc3s2)cc([C@@H]2O[C@H](COCc3ccccc3)C[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(OCc2ccccc2)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SSTR1	P30872	2/20	0.34

▸	SSTR2	P30874	2/20	0.34

▸	SSTR4	P31391	2/20	0.34

▸	SSTR3	P32745	2/20	0.34

▸	SSTR5	P35346	2/20	0.34

▸	SLC5A2	P31639	9/20	0.34

▸	SLC5A1	P13866	6/20	0.34

▸	CHRNA7	P36544	1/20	0.31

▸	BCHE	P06276	1/20	0.31

▸	ACHE	P22303	1/20	0.31

▸	CHRM1	P11229	1/20	0.31

▸	ADRA1A	P35348	1/20	0.31

▸	SLC6A3	Q01959	1/20	0.31

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
SCHEMBL21697647	0.88	SSTR1 (0.36)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697646	0.85	SLC5A2 (0.40)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697642	0.85	SSTR1 (0.37)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16018682	0.84	SLC5A2 (0.35)	SLC5A2SLC5A1CHRNA7CHRM1ADRA1A
SCHEMBL21697613	0.84	SSTR1 (0.36)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16020874	0.83	SLC5A2 (0.34)	SLC5A2SLC5A1CHRNA7CHRM1ADRA1A
SCHEMBL21697623	0.83	SLC5A2 (0.37)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697600	0.82	SLC5A2 (0.41)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697655	0.81	SSTR1 (0.37)	SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21697562	0.79	SSTR1 (0.33)	SSTR1SSTR2SSTR4SSTR3SSTR5

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-2968258-B1	DUAL SGLT1/SGLT2 INHIBITORS	JANSSEN PHARMACEUTICA NV (BE)	2020-02-12	—	—	EP	disclosed