SCHEMBL6597595

SCHEMBL6597595

CCON=C(CCN1CCN(c2ccccc2OC)CC1)c1cccs1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.73
HTR1A P08908 6/20 0.68
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD2 P14416 4/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD3 P35462 2/20 0.52

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
SCHEMBL6352691 0.84 DRD4 (1.00) DRD4HTR1ADRD2DRD3
SCHEMBL6352689 0.84 DRD4 (1.00) DRD4HTR1ADRD2DRD3
SCHEMBL6360190 0.76 DRD4 (0.84) DRD4HTR1ADRD2DRD3
SCHEMBL6360188 0.76 DRD4 (0.84) DRD4HTR1ADRD2DRD3
SCHEMBL6597096 0.76 HTR1A (0.66) DRD4HTR1ADRD2ALDH1A1MAPT
SCHEMBL8120660 0.73 DRD4 (0.58) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL6351475 0.73 DRD4 (0.76) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL6351477 0.73 DRD4 (0.76) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL9650843 0.72 ADRA1D (1.00) DRD4HTR1AADRA1DADRA1AADRA1B
SCHEMBL3068873 0.72 HTR1A (0.68) DRD4HTR1ADRD2ALDH1A1MAPT

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-1008594-B1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA LAB (ES) 2004-03-17 EP disclosed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP disclosed