SCHEMBL4561888

SCHEMBL4561888

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 1/20 0.39
DRD3 P35462 6/20 0.39
CHRM4 P08173 2/20 0.38
HTR7 P34969 2/20 0.38
DRD2 P14416 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MCHR1 Q99705 1/20 0.37
EPHX2 P34913 1/20 0.37
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2856627 0.98 HRH3 (0.40) HRH3KCNH2DRD3CHRM4HTR7
SCHEMBL2849035 0.96 HTR7 (0.41) HRH3KCNH2DRD3CHRM4HTR7
SCHEMBL2852974 0.96 HRH3 (0.42) HRH3KCNH2CHRM4HTR1AMCHR1
SCHEMBL4054287 0.87 HTR7 (0.38) HRH3DRD3HTR7DRD2HTR1A
SCHEMBL4057335 0.87 DRD3 (0.52) DRD3HTR7DRD2HTR1AHTR2A
SCHEMBL4050945 0.86 HTR7 (0.48) DRD3HTR7DRD2HTR1AHTR2A
SCHEMBL3258946 0.86 KDM4E (0.47) DRD3DRD2HTR1AHTR2AHRH1
SCHEMBL2195868 0.85 HTR7 (0.47) DRD3HTR7DRD2HTR1AHTR2A
SCHEMBL2194249 0.85 DRD3 (0.53) DRD3HTR7DRD2HTR1AHTR2A
SCHEMBL2197706 0.84 KDM4E (0.48) DRD3DRD2HTR1AHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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