SCHEMBL2852437

N#Cc1ccc2c(c1)nc(-c1ccccc1)n2C1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3C3SCCN3C(=O)[C@@H]3C[C@H](N4CCC(n5c(-c6ccccc6)nc6cc(C(F)(F)F)ccc65)CC4)CN3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	HTR2B	P41595	1/20	0.42

▸	HTR6	P50406	1/20	0.42

▸	CYP11B2	P19099	4/20	0.41

▸	DPP4	P27487	12/20	0.40

▸	DPP8	Q6V1X1	2/20	0.37

▸	DPP9	Q86TI2	2/20	0.37

▸	PAX8	Q06710	1/20	0.37

▸	CYP11B1	P15538	2/20	0.37

▸	USP2	O75604	2/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.37

▸	PKM	P14618	1/20	0.36

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
SCHEMBL2852434	0.88	DPP4 (0.55)	DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2852003	0.71	DPP4 (0.59)	DPP4DPP8DPP9USP2SMN1; SMN2
SCHEMBL2876987	0.70	DPP4 (0.62)	DPP4DPP8DPP9
SCHEMBL2857091	0.66	DPP4 (0.60)	DPP4DPP8DPP9
SCHEMBL17896645	0.65	CYP11B2 (0.67)	HTR2BHTR6CYP11B2CYP11B1
SCHEMBL2851989	0.65	DPP4 (0.68)	DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2854541	0.64	DPP4 (0.64)	DPP4DPP8DPP9
SCHEMBL2707265	0.64	DPP4 (0.62)	DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708597	0.62	DPP4 (0.69)	DPP4DPP8DPP9
SCHEMBL10175446	0.61	CYP11B2 (1.00)	HTR2BHTR6CYP11B2CYP11B1

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
US-7790725-B2	Thiazolidine derivatives and medicinal use thereof	MITSUBISHI TANABE PHARMA CORPORATION (JP)	2010-09-07	—	—	US	disclosed