SCHEMBL4089256

C[C@H](NC(=O)c1cccc(N(C(=O)c2ccccc2C(=O)Nc2cccc(C(=O)NC3CCCCCC3)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	2/20	0.40

▸	LMNA	P02545	1/20	0.40

▸	POLB	P06746	1/20	0.40

▸	KDM4E	B2RXH2	1/20	0.40

▸	NPC1	O15118	1/20	0.40

▸	RAB9A	P51151	1/20	0.40

▸	GFER	P55789	1/20	0.40

▸	SMN1; SMN2	Q16637	1/20	0.40

▸	HSD17B10	Q99714	1/20	0.40

▸	ACKR3	P25106	2/20	0.39

▸	METAP2	P50579	1/20	0.39

▸	METAP1	P53582	1/20	0.39

▸	RXFP1	Q9HBX9	3/20	0.38

▸	CTSD	P07339	1/20	0.38

▸	BACE1	P56817	1/20	0.38

▸	BACE2	Q9Y5Z0	1/20	0.38

▸	TACR2	P21452	2/20	0.38

▸	TACR1	P25103	2/20	0.38

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
SCHEMBL4089254	0.87	ACKR3 (0.44)	MAPTLMNAPOLBACKR3METAP2
SCHEMBL3771503	0.76	RHOC (0.55)	MAPTLMNARAB9ARXFP1
SCHEMBL3764435	0.76	RHOC (0.55)	MAPTLMNARAB9ARXFP1
SCHEMBL3772371	0.74	KCNK3 (0.58)	RXFP1
SCHEMBL3771065	0.74	KCNK3 (0.58)	RXFP1
SCHEMBL3771456	0.71	MEN1 (0.55)	NPC1RAB9ASMN1; SMN2
SCHEMBL3779790	0.71	MEN1 (0.55)	NPC1RAB9ASMN1; SMN2
SCHEMBL3776735	0.71	ACKR3 (0.62)	MAPTLMNANPC1RAB9AACKR3
SCHEMBL3776657	0.70	KCNK3 (0.56)	—
SCHEMBL3766322	0.70	KCNK3 (0.56)	—

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-2009103778-A1	COMPOUNDS AND METHODS	NOVASAID AB (SE)	2009-08-27	—	—	WO	disclosed