SCHEMBL3404965

SCHEMBL3404965

O=C(Cc1ccc2ncccc2c1)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
SIGMAR1 Q99720 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CHKA P35790 1/20 0.47
CCR3 P51677 1/20 0.47
ACHE P22303 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4590232 0.86 DRD2 (0.52) DRD2DRD4SIGMAR1ACHE
SCHEMBL4287273 0.80 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL7501904 0.80 DRD2 (0.63) DRD2DRD4SIGMAR1CCR3ACHE
SCHEMBL4289978 0.79 BCHE (0.69) DRD2DRD4SIGMAR1SMN1; SMN2ACHE
SCHEMBL220037 0.78 ACHE (0.66) SIGMAR1ACHE
Hydrochloric Acid SCHEMBL9381094 0.78 BCHE (0.69) DRD2DRD4SIGMAR1SMN1; SMN2ACHE
SCHEMBL5259687 0.78 DRD2 (0.54) DRD2DRD4SIGMAR1
SCHEMBL8818483 0.78 SIGMAR1 (0.64) DRD2DRD4SIGMAR1ACHE
SCHEMBL4284929 0.75 DRD2 (0.59) DRD2DRD4ACHE
SCHEMBL4013265 0.74 ACKR3 (0.45) DRD2DRD4SIGMAR1SMN1; SMN2CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249806-A2 RESVERATROL FORMULATIONS Sirtris Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2009089011-A2 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
WO-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1853610-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
EP-1850840-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS Sirtris Pharmaceuticals, Inc. (US) 2007-11-07 EP disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2006094236-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006076681-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed