SCHEMBL7552901

SCHEMBL7552901

COc1cc[c]c(C)c1N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.46
DRD2 P14416 1/20 0.46
HTR1A P08908 3/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
CCR4 P51679 3/20 0.39
HTR1D P28221 2/20 0.39
SIRT6 Q8N6T7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
MCHR1 Q99705 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL3588890 0.80 ADRA2C (0.36) CCR4SMN1; SMN2ALDH1A1KDM4EGFER
SCHEMBL6971975 0.73 DRD3 (0.57) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21590165 0.71 MAPT (0.47) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6972658 0.71 DRD2 (0.46) DRD3DRD2CCR4SIRT6ALDH1A1
SCHEMBL3601316 0.69 ADRA2C (0.42) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21447973 0.69 DRD3 (0.56) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL21448005 0.69 DRD3 (0.56) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL285241 0.69 DRD2 (0.60) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL9523246 0.69 DRD3 (0.56) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL2481218 0.69 DRD2 (0.56) DRD3DRD2HTR1ADRD4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed