SCHEMBL4050945

SCHEMBL4050945

O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.48
DRD2 P14416 6/20 0.45
DRD4 P21917 1/20 0.45
HTR1A P08908 3/20 0.45
HTR2A P28223 3/20 0.45
HTR6 P50406 2/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
DRD3 P35462 5/20 0.43
DRD1 P21728 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD5 P21918 2/20 0.40

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
SCHEMBL2191733 0.97 HTR7 (0.50) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL2195868 0.97 HTR7 (0.47) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL2196037 0.95 HTR7 (0.45) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL1253411 0.90 HTR7 (0.45) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL3258946 0.88 KDM4E (0.47) DRD2DRD4HTR1AHTR2AHTR6
SCHEMBL4057154 0.87 KDM4E (0.47) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL4561888 0.86 HRH3 (0.40) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL1254641 0.86 HTR7 (0.66) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL1254473 0.86 HTR7 (0.63) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL3426445 0.86 HTR7 (0.44) HTR7DRD2HTR1AHTR2ADRD3

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