SCHEMBL3221160

SCHEMBL3221160

CC(C)(C)[N+]1(C(=O)[O-])CCNCC1

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL103155 0.92
SCHEMBL1429756 0.75
SCHEMBL323470 0.75
SCHEMBL1571074 0.74 MEN1 (0.32)
SCHEMBL16070063 0.74
SCHEMBL1583733 0.74
SCHEMBL11040106 0.72 MEN1 (0.31)
SCHEMBL3708618 0.72
SCHEMBL4648648 0.71 MEN1 (0.31)
SCHEMBL9364111 0.70 MEN1 (0.31)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP disclosed
US-20100069356-A1 DIBENZOTHIAZEPINE MODULATORS OF DOPAMINE, ALPHA ADRENERGIC, AND SEROTONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
WO-2009080675-A1 QUINOLINE DERIVATIVES WITH AFFINITY FOR THE 5-HT2B RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed