SCHEMBL6674842

Cc1ccccc1CN1c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N(N2c3c(c(=O)[nH]c(=O)n3Cc3ccccc3)N(Cc3ccccc3)C2N2CCCC(N)C2)C1N1CCCC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	DPP4	P27487	12/20	0.39

▸	KCNH2	Q12809	1/20	0.37

▸	CHRM2	P08172	1/20	0.35

▸	CHRM4	P08173	1/20	0.35

▸	CHRM5	P08912	1/20	0.35

▸	CHRM1	P11229	1/20	0.35

▸	DRD2	P14416	1/20	0.35

▸	CHRM3	P20309	1/20	0.35

▸	ADRA1D	P25100	1/20	0.35

▸	HTR2C	P28335	1/20	0.35

▸	ADRA1A	P35348	1/20	0.35

▸	ADRA1B	P35368	1/20	0.35

▸	POLB	P06746	1/20	0.34

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
SCHEMBL6674823	0.71	DPP4 (0.59)	DPP4
SCHEMBL4669718	0.71	DPP4 (0.59)	DPP4
SCHEMBL6674520	0.69	DPP4 (0.42)	DPP4KCNH2
SCHEMBL27600222	0.69	TSHR (0.39)	DPP4KCNH2POLB
SCHEMBL5335575	0.69	DPP4 (0.45)	DPP4
SCHEMBL15533388	0.67	DPP4 (0.47)	DPP4
SCHEMBL10331077	0.67	DPP4 (0.77)	DPP4
SCHEMBL4669803	0.65	TSHR (0.68)	DPP4POLB
SCHEMBL7568647	0.65	HPGD (0.37)	DPP4POLB
SCHEMBL8234532	0.64	DPP4 (0.53)	DPP4

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-2004033455-A2	HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS	NOVO NORDISK A/S (DK)	2004-04-22	—	—	WO	disclosed