SCHEMBL4055239

SCHEMBL4055239

CCOc1ccc(N2CCN(CCCCn3ccc4c3CCCC4=O)CC2)cc1.CCOc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)cc1.CCOc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)cc1.COc1ccc(N2CCN(CCCCn3ccc4c3CCCC4=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
DRD3 P35462 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HTR1A P08908 4/20 0.45
KDM4E B2RXH2 1/20 0.45
DRD2 P14416 5/20 0.45
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 2/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL2851081 0.94 DRD2 (0.47) MAPTTP53DRD3SMN1; SMN2MAPK1
SCHEMBL4057335 0.94 DRD3 (0.52) DRD3HTR1ADRD2HSD17B10HTR2A
SCHEMBL2853060 0.94 DRD2 (0.49) MAPTTP53DRD3SMN1; SMN2MAPK1
SCHEMBL2194852 0.92 DRD3 (0.53) DRD3HTR1ADRD2HSD17B10HTR2A
SCHEMBL2850938 0.92 DRD2 (0.44) MAPTTP53SMN1; SMN2MAPK1HTR1A
SCHEMBL2194249 0.92 DRD3 (0.53) DRD3HTR1ADRD2HSD17B10HTR2A
SCHEMBL2193588 0.90 DRD2 (0.51) DRD3HTR1AKDM4EDRD2HSD17B10
SCHEMBL4057154 0.82 KDM4E (0.47) DRD3HTR1AKDM4EDRD2HSD17B10
SCHEMBL4561888 0.81 HRH3 (0.40) MAPTDRD3HTR1ADRD2HTR2A
SCHEMBL3258946 0.81 KDM4E (0.47) DRD3MAPK1HTR1AKDM4EDRD2

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