SCHEMBL4422716

CN(Cc1cc(Br)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C.Cc1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cn2S(=O)(=O)c2cccnc2)c(F)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PTGDR2	Q9Y5Y4	1/20	0.33

▸	TACR1	P25103	2/20	0.32

▸	GAA	P10253	2/20	0.30

▸	TSHR	P16473	1/20	0.30

▸	GFER	P55789	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	0.30

▸	CPB2	Q96IY4	1/20	0.30

▸	RIPK1	Q13546	1/20	0.30

▸	HTR2C	P28335	1/20	0.30

▸	SLC6A4	P31645	1/20	0.30

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
SCHEMBL2411600	0.96	TACR1 (0.34)	PTGDR2TACR1GAATSHRGFER
SCHEMBL4792894	0.88	TACR1 (0.33)	PTGDR2TACR1GAATSHRGFER
SCHEMBL30089470	0.87	RIPK1 (0.38)	GAATSHRCPB2RIPK1HTR2C
SCHEMBL1156755	0.87	RIPK1 (0.38)	GAATSHRCPB2RIPK1HTR2C
SCHEMBL4791520	0.86	GPBAR1 (0.36)	PTGDR2GAATSHR
SCHEMBL1278111	0.86	RIPK1 (0.34)	PTGDR2TACR1GAATSHRGFER
SCHEMBL4789902	0.85	CLK1 (0.36)	SMN1; SMN2
SCHEMBL4422722	0.85	PTGDR2 (0.34)	PTGDR2GAATSHRGFERSMN1; SMN2
SCHEMBL2412163	0.84	PTGDR2 (0.37)	PTGDR2TACR1GAATSHRGFER
SCHEMBL1278681	0.84	TACR1 (0.38)	TACR1GAATSHRGFERSMN1; SMN2

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-2114917-A2	PYRROLE COMPOUNDS	Takeda Pharmaceutical Company Limited (JP)	2009-11-11	—	—	EP	disclosed
WO-2008108380-A2	PYRROLE COMPOUNDS	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2008-09-12	—	—	WO	disclosed