SCHEMBL5047635

O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.O=C(c1cc([N+](=O)[O-])ccc1OC1COC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A9	P48067	14/20	0.62

▸	SLC6A5	Q9Y345	8/20	0.62

▸	IDE	P14735	1/20	0.49

▸	LMNA	P02545	2/20	0.48

▸	SMN1; SMN2	Q16637	1/20	0.48

▸	ENPP2	Q13822	1/20	0.47

▸	MAPT	P10636	1/20	0.47

▸	KCNH2	Q12809	1/20	0.47

▸	PAX8	Q06710	1/20	0.46

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
SCHEMBL5045258	0.93	SLC6A9 (0.63)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL4420325	0.87	SLC6A9 (0.73)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL4427317	0.86	SLC6A9 (0.62)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL4424662	0.86	SLC6A9 (0.62)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL5041806	0.85	SLC6A9 (0.61)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL5041982	0.85	SLC6A9 (0.59)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL5133355	0.84	SLC6A9 (0.58)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL5046077	0.83	SLC6A9 (0.57)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL5133872	0.83	SLC6A9 (0.59)	SLC6A9SLC6A5IDELMNASMN1; SMN2
SCHEMBL5042592	0.82	SLC6A9 (0.58)	SLC6A9SLC6A5IDELMNASMN1; SMN2

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