SCHEMBL1421840

CCc1cc(N(CCc2ccc(C(F)(F)F)cn2)C(=O)[C@](O)(c2ccc(F)cc2)[C@@](O)(C(=O)N(CCc2ccc(C(F)(F)F)cn2)c2ccc(OC(F)F)c(OC(F)F)c2)c2ccc(F)cc2)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	HCRTR1	O43613	6/20	0.34

▸	HCRTR2	O43614	6/20	0.34

▸	MEN1	O00255	2/20	0.32

▸	KMT2A	Q03164	2/20	0.32

▸	FFAR1	O14842	1/20	0.32

▸	MRGPRX4	Q96LA9	2/20	0.31

▸	CETP	P11597	2/20	0.31

▸	OXTR	P30559	1/20	0.31

▸	TACR3	P29371	1/20	0.31

▸	PDE4A	P27815	1/20	0.30

▸	POLQ	O75417	2/20	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
SCHEMBL1421842	1.00	HCRTR1 (0.34)	HCRTR1HCRTR2MEN1KMT2AFFAR1
SCHEMBL1422607	0.79	GPBAR1 (0.34)	HCRTR1HCRTR2MEN1KMT2APOLQ
SCHEMBL1422609	0.79	GPBAR1 (0.34)	HCRTR1HCRTR2MEN1KMT2APOLQ
SCHEMBL271747	0.79	FFAR1 (0.37)	HCRTR1HCRTR2MEN1KMT2AFFAR1
SCHEMBL264910	0.79	FFAR1 (0.37)	HCRTR1HCRTR2MEN1KMT2AFFAR1
SCHEMBL264909	0.79	FFAR1 (0.37)	HCRTR1HCRTR2MEN1KMT2AFFAR1
SCHEMBL264248	0.79	MEN1 (0.36)	HCRTR1HCRTR2MEN1KMT2ACETP
SCHEMBL264249	0.79	MEN1 (0.36)	HCRTR1HCRTR2MEN1KMT2ACETP
SCHEMBL264250	0.79	MEN1 (0.36)	HCRTR1HCRTR2MEN1KMT2ACETP
SCHEMBL1422029	0.78	POLQ (0.35)	HCRTR1HCRTR2POLQ

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-2297102-A1	HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS	F. Hoffmann-La Roche AG (CH)	2011-03-23	—	—	EP	disclosed