SCHEMBL4289984

SCHEMBL4289984

CC(=O)C(c1ccc2nc(C)sc2c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.61
ACHE P22303 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.46
ACKR3 P25106 1/20 0.43
CCR1 P32246 1/20 0.42
CCR3 P51677 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
LTA4H P09960 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
Hydrochloric Acid SCHEMBL9385815 0.99 BCHE (0.61) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL4288287 0.85 BCHE (0.46) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL5570200 0.83 ACHE (0.54) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL4284930 0.82 BCHE (0.52) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL4013265 0.80 ACKR3 (0.45) ACHESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7501907 0.78 ABL1 (0.54) ACHEKMT2A
SCHEMBL4287276 0.77 MCHR1 (0.41) BCHEACHEDRD2DRD4KCNH2
SCHEMBL4289978 0.77 BCHE (0.69) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL5636369 0.76 BCHE (0.71) BCHEACHESMN1; SMN2ALDH1A1LMNA
SCHEMBL5635122 0.76 ACHE (0.74) BCHEACHESMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
WO-2008073451-A2 BENZOIMIDAZOLE DERIVATIVES AS SIRTUIN (SIR) MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
EP-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 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-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2006094246-A2 N-ARYLMETHYL BENZAMIDE SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094248-A1 ARYL-SUBSTITUTED CYCLIC 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