SCHEMBL4057154

SCHEMBL4057154

O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(Cl)cc2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 11/20 0.46
DRD3 P35462 6/20 0.46
DRD5 P21918 5/20 0.46
HTR1A P08908 8/20 0.45
HTR7 P34969 5/20 0.45
HTR2A P28223 5/20 0.45
SIGMAR1 Q99720 4/20 0.45
TMEM97 Q5BJF2 2/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
DRD4 P21917 3/20 0.44
HTR6 P50406 3/20 0.44
DRD1 P21728 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
SCHEMBL3424068 0.98 KDM4E (0.49) KDM4EGAAHSD17B10DRD2DRD3
SCHEMBL2194931 0.97 KDM4E (0.47) KDM4EGAAHSD17B10DRD2DRD3
SCHEMBL2197948 0.97 KDM4E (0.50) KDM4EGAAHSD17B10DRD2DRD3
SCHEMBL2196865 0.94 HTR1A (0.47) KDM4EGAAHSD17B10DRD2DRD3
SCHEMBL3258946 0.88 KDM4E (0.47) KDM4EDRD2DRD3HTR1AHTR2A
SCHEMBL4050945 0.87 HTR7 (0.48) DRD2DRD3DRD5HTR1AHTR7
SCHEMBL1255683 0.86 DRD2 (0.44) KDM4EHSD17B10DRD2DRD3HTR1A
SCHEMBL2197706 0.86 KDM4E (0.48) KDM4EDRD2DRD3HTR1AHTR2A
SCHEMBL2191495 0.86 ALDH1A1 (0.46) KDM4EDRD2DRD3HTR1AHTR7
SCHEMBL2192247 0.86 ALDH1A1 (0.46) KDM4EDRD2DRD3HTR1AHTR7

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