SCHEMBL20142359

CO[C@H](CC[C@@H](CC(C)C)c1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4)C[C@@H]3C)n(C)c2C)CC1)OC(=O)N([C@H](CC[C@@H](CC(C)C)c1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4)C[C@@H]3C)n(C)c2C)CC1)OC)[C@H](CC[C@@H](CC(C)C)c1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4)C[C@@H]3C)n(C)c2C)CC1)OC

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MTOR	P42345	4/20	0.45

▸	RPTOR	Q8N122	4/20	0.45

▸	MLST8	Q9BVC4	4/20	0.45

▸	SCD5	Q86SK9	1/20	0.34

▸	HTR7	P34969	3/20	0.32

▸	NPC1	O15118	2/20	0.32

▸	RAB9A	P51151	2/20	0.32

▸	KMT2A	Q03164	2/20	0.32

▸	CHRM4	P08173	2/20	0.31

▸	CHRM2	P08172	1/20	0.30

▸	CHRM1	P11229	1/20	0.30

▸	MEN1	O00255	1/20	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
SCHEMBL20139349	0.80	MTOR (0.47)	MTORRPTORMLST8SCD5NPC1
SCHEMBL20139350	0.80	MTOR (0.47)	MTORRPTORMLST8SCD5NPC1
SCHEMBL20139828	0.77	MTOR (0.49)	MTORRPTORMLST8SCD5NPC1
SCHEMBL20139265	0.77	MTOR (0.52)	MTORRPTORMLST8SCD5HTR7
SCHEMBL20154261	0.74	MTOR (0.47)	MTORRPTORMLST8SCD5NPC1
SCHEMBL20140150	0.73	MTOR (0.57)	MTORRPTORMLST8SCD5HTR7
SCHEMBL20159083	0.72	MTOR (0.57)	MTORRPTORMLST8SCD5HTR7
SCHEMBL20159033	0.72	MTOR (0.57)	MTORRPTORMLST8SCD5HTR7
SCHEMBL20159032	0.72	MTOR (0.57)	MTORRPTORMLST8SCD5HTR7
SCHEMBL20139244	0.71	MTOR (0.55)	MTORRPTORMLST8SCD5HTR7

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-2018089493-A1	PYRROLE mTORC INHIBITORS AND USES THEREOF	NAVITOR PHARMACEUTICALS, INC. (US)	2018-05-17	—	—	WO	disclosed