SCHEMBL12436928

CC(C)(C)OC(=O)N1C(c2nc(-c3ccc(-c4ccc(-c5c[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)OC(C)(C)C)n5)cn4)cc3)c[nH]2)[C@H]2CC[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PREP	P48147	3/20	0.41

▸	CHRM2	P08172	1/20	0.39

▸	CHRM1	P11229	1/20	0.39

▸	CHRM3	P20309	1/20	0.39

▸	GPR119	Q8TDV5	11/20	0.38

▸	KAT2B	Q92831	1/20	0.35

▸	HSD11B1	P28845	1/20	0.35

▸	JAK1	P23458	2/20	0.35

▸	USP30	Q70CQ3	1/20	0.35

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
SCHEMBL12436556	1.00	PREP (0.41)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL17066303	0.94	PREP (0.42)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL12436385	0.94	PREP (0.42)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL12436927	0.94	PREP (0.41)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL16062569	0.93	PREP (0.40)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL16062573	0.91	PREP (0.37)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL16062559	0.90	KCNK3 (0.41)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL18426928	0.90	KCNK3 (0.41)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL889338	0.90	KCNK3 (0.41)	PREPCHRM2CHRM1CHRM3GPR119
SCHEMBL12436925	0.86	PREP (0.36)	PREPCHRM2CHRM1CHRM3GPR119

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-2011091532-A1	HEPATITIS C INHIBITOR COMPOUNDS	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2011-08-04	—	—	WO	disclosed