SCHEMBL7314874

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(C(c2ccccc2)c2ccccc2)C[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1C(N)=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	2/20	0.33

▸	HTT	P42858	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

▸	ALDH1A1	P00352	2/20	0.33

▸	EBP	Q15125	2/20	0.32

▸	SIGMAR1	Q99720	2/20	0.32

▸	MEN1	O00255	1/20	0.31

▸	GAA	P10253	1/20	0.31

▸	RAB9A	P51151	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	L3MBTL1	Q9Y468	1/20	0.31

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
SCHEMBL7317409	0.80	EBP (0.39)	EBPSIGMAR1
SCHEMBL7305038	0.80	EBP (0.39)	EBPSIGMAR1
SCHEMBL7318697	0.75	EBP (0.35)	ALDH1A1EBPSIGMAR1MEN1KMT2A
SCHEMBL7314889	0.74	MCL1 (0.37)	MEN1KMT2A
SCHEMBL7314881	0.74	MCL1 (0.37)	MEN1KMT2A
SCHEMBL7314868	0.74	MCL1 (0.37)	MEN1KMT2A
SCHEMBL7308385	0.74	EBP (0.39)	MAPTHTTNPSR1EBPSIGMAR1
SCHEMBL8083545	0.74	EBP (0.39)	MAPTHTTNPSR1EBPSIGMAR1
SCHEMBL7310779	0.74	SIGMAR1 (0.38)	MAPTALDH1A1EBPSIGMAR1MEN1
SCHEMBL7309070	0.70	EBP (0.39)	EBPSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1041064-A2	N-substituted alpha aminoacid amides as calcium channel modulators	ELI LILLY AND COMPANY LIMITED (GB)	2000-10-04	—	—	EP	disclosed
EP-0805147-A1	Novel N-substituted alpha aminoacid amides as calcium channel modulators	LILLY INDUSTRIES LIMITED (GB)	1997-11-05	—	—	EP	disclosed