SCHEMBL9874466

CCCCCOc1ccc([C@H]2CC[C@H](c3ccc(F)nc3)CC2)cc1.CCCCCc1ccc([C@H]2CC[C@H](c3ccc(Cl)nc3)CC2)cc1.CCCCOc1ccc([C@H]2CC[C@H](c3ccc(F)nc3)CC2)cc1.CCCCc1ccc([C@H]2CC[C@H](c3ccc(Cl)nc3)CC2)cc1.CCCOc1ccc([C@H]2CC[C@H](c3ccc(F)nc3)CC2)cc1.CCCc1ccc([C@H]2CC[C@H](c3ccc(Cl)nc3)CC2)cc1.CCOc1ccc([C@H]2CC[C@H](c3ccc(F)nc3)CC2)cc1.CCc1ccc([C@H]2CC[C@H](c3ccc(Cl)nc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	SPHK1	Q9NYA1	13/20	0.38

▸	RAB9A	P51151	2/20	0.36

▸	MAPT	P10636	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	SPHK2	Q9NRA0	7/20	0.35

▸	CNR1	P21554	1/20	0.33

▸	CNR2	P34972	1/20	0.33

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
SCHEMBL9874452	1.00	SPHK1 (0.38)	SPHK1RAB9AMAPTL3MBTL1SPHK2
SCHEMBL9874845	0.84	SPHK1 (0.52)	SPHK1RAB9AMAPTSPHK2
SCHEMBL9874841	0.84	SPHK1 (0.52)	SPHK1RAB9AMAPTSPHK2
SCHEMBL9874333	0.84	FFAR1 (0.39)	RAB9AMAPTL3MBTL1
SCHEMBL9875787	0.83	SPHK1 (0.39)	SPHK1RAB9AMAPTL3MBTL1SPHK2
SCHEMBL9875798	0.83	SPHK1 (0.39)	SPHK1RAB9AMAPTL3MBTL1SPHK2
SCHEMBL9157261	0.79	RAB9A (0.47)	RAB9A
SCHEMBL9157268	0.79	RAB9A (0.47)	RAB9A
SCHEMBL9158238	0.78	SPHK1 (0.59)	SPHK1RAB9AMAPTSPHK2
SCHEMBL9161349	0.78	SPHK1 (0.59)	SPHK1RAB9AMAPTSPHK2

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-1991004248-A1	PYRIDINE DERIVATIVES	MERCK Patent Gesellschaft mit beschränkter Haftung (DE)	1991-04-04	—	—	WO	disclosed