SCHEMBL12590709

[2H]c1c([2H])c([2H])c(C([2H])([2H])[2H])c(NC(=O)CN2C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])(O)C([2H])([2H])Oc3c([2H])c([2H])c([2H])c([2H])c3OC([2H])([2H])[2H])C([2H])([2H])C2([2H])[2H])c1[2H]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Ranolazine SCHEMBL12590711	0.91	CYP3A4 (0.33)	—
Ranolazine SCHEMBL13991380	0.78	CYP3A4 (0.48)	—
Ranolazine SCHEMBL12590701	0.77	—	—
Ranolazine SCHEMBL13991267	0.73	TSHR (0.52)	—
Ranolazine SCHEMBL13991276	0.70	TSHR (0.54)	—
Ranolazine SCHEMBL13991262	0.70	CYP3A4 (0.55)	—
Ranolazine SCHEMBL13991243	0.70	CYP3A4 (0.53)	—
Ranolazine SCHEMBL13991340	0.70	CYP3A4 (0.41)	—
Ranolazine SCHEMBL13991257	0.68	CYP3A4 (0.51)	—
Ranolazine SCHEMBL13991238	0.67	CYP3A4 (0.57)	—

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
US-20110160154-A1	SUBSTITUTED PIPERAZINES	AUSPEX PHARMACEUTICALS, INC. (US)	2011-06-30	—	—	US	disclosed