SCHEMBL3258946

SCHEMBL3258946

O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)cc2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR1A P08908 5/20 0.45
DRD2 P14416 4/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTR2A P28223 3/20 0.43
HRH1 P35367 3/20 0.43
DRD3 P35462 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
HTR2C P28335 2/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL2197706 0.98 KDM4E (0.48) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL1256145 0.96 HTR1A (0.49) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL2194422 0.96 HTR1A (0.47) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL2196809 0.94 HTR1A (0.48) KDM4ELMNAMAPK1HTR1ADRD2
SCHEMBL4057154 0.88 KDM4E (0.47) KDM4EHTR1ADRD2HTR2AHRH1
SCHEMBL4050945 0.88 HTR7 (0.48) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL2195337 0.87 SLC6A2 (0.43) KDM4EHTR1ADRD2ADRA1DADRA1A
SCHEMBL2192247 0.87 ALDH1A1 (0.46) KDM4EHTR1ADRD2ADRA1DADRA1A
SCHEMBL2194931 0.87 KDM4E (0.47) KDM4EHTR1ADRD2HTR2AHRH1
SCHEMBL4057335 0.86 DRD3 (0.52) HTR1ADRD2HTR2ADRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036395-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2010-04-01 WO disclosed
EP-1715921-A4 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS ABRAXIS BIOSCIENCE INC (US) 2009-07-15 EP disclosed
EP-1715921-A2 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS Cenomed, Inc. (US) 2006-11-02 EP disclosed
WO-2005030148-A2 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS CENOMED, INC. (US) 2005-04-07 WO disclosed