SCHEMBL1034992

COCCCN1C(=O)COc2ccc(CO[C@H]3C(Cc4ccccc4)N(C(=O)O)C[C@@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	4/20	0.39

▸	REN	P00797	4/20	0.37

▸	SMPD1	P17405	1/20	0.36

▸	CYP3A4	P08684	2/20	0.35

▸	CHRM1	P11229	1/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.35

▸	TSHR	P16473	2/20	0.35

▸	THRB	P10828	1/20	0.35

▸	POLB	P06746	2/20	0.34

▸	TP53	P04637	3/20	0.34

▸	ALDH1A1	P00352	1/20	0.33

▸	HSD17B10	Q99714	1/20	0.33

▸	OPRK1	P41145	1/20	0.32

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
SCHEMBL3908343	0.87	MAPT (0.42)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL1034990	0.84	MAPT (0.40)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL4538962	0.84	MAPT (0.40)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL1036573	0.84	MAPT (0.41)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL1037803	0.81	REN (0.38)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL3274719	0.80	REN (0.36)	MAPTRENCYP3A4CHRM1TSHR
SCHEMBL1040699	0.78	MAPT (0.39)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL4136437	0.78	MAPT (0.42)	MAPTRENSMPD1CYP3A4CHRM1
SCHEMBL1040689	0.77	REN (0.33)	RENTHRBTP53
SCHEMBL3877631	0.77	REN (0.34)	MAPTRENCYP3A4L3MBTL1TSHR

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-2049514-B1	NITRATE ESTERS OF PIPERIDINES	NOVARTIS AG (CH)	2011-01-26	—	—	EP	disclosed