SCHEMBL3433100

SCHEMBL3433100

COc1c(N)cccc1N1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.64
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
PTK2B Q14289 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR3A P46098 2/20 0.44
HTR1A P08908 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
NCF1 P14598 1/20 0.42
EGFR P00533 1/20 0.42

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 SCHEMBL6354856 0.98 ADRA2C (0.62) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL27293546 0.85 KEAP1 (0.59) ADRA2CMAPTMAPK1KDM4EGAA
SCHEMBL30923161 0.85 KEAP1 (0.59) ADRA2CMAPTMAPK1KDM4EGAA
SCHEMBL15283252 0.83 ADRA2C (0.58) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL3727253 0.82 LGMN (0.45) ADRA2CMAPTKDM4EGAARECQL
SCHEMBL25527740 0.81 GAA (0.53) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL25527913 0.80 MEN1 (0.47) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL13733122 0.80 GAA (0.47) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL1509507 0.79 ADRA2C (0.72) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL31172405 0.79 ADRA2C (0.72) ADRA2CDRD2DRD3MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 US disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 US disclosed
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed