SCHEMBL5048170

CCOCCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A9	P48067	9/20	0.56

▸	SLC6A5	Q9Y345	5/20	0.56

▸	ENPP2	Q13822	4/20	0.50

▸	MAPT	P10636	3/20	0.46

▸	LMNA	P02545	3/20	0.46

▸	ALDH1A1	P00352	2/20	0.46

▸	SMN1; SMN2	Q16637	2/20	0.46

▸	HTT	P42858	1/20	0.46

▸	MGLL	Q99685	1/20	0.46

▸	KCNH2	Q12809	1/20	0.46

▸	IDE	P14735	1/20	0.44

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
SCHEMBL5133872	0.90	SLC6A9 (0.59)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL5037824	0.89	SLC6A9 (0.56)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL5133355	0.89	SLC6A9 (0.58)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL5042592	0.89	SLC6A9 (0.58)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL27669124	0.89	SLC6A9 (0.56)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL4422175	0.88	SLC6A9 (0.62)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL5038044	0.88	SLC6A9 (0.65)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL5132304	0.87	SLC6A9 (0.61)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL4421251	0.87	SLC6A9 (0.61)	SLC6A9SLC6A5ENPP2MAPTLMNA
SCHEMBL5041982	0.87	SLC6A9 (0.59)	SLC6A9SLC6A5ENPP2MAPTLMNA

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-1656361-B1	PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS	HOFFMANN LA ROCHE (CH)	2008-01-02	—	—	EP	disclosed