SCHEMBL6598694

SCHEMBL6598694

COc1ccccc1N1CCN(CC/C(=N/O)c2csc3ccccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.75
HTR1D P28221 2/20 0.75
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
DRD4 P21917 1/20 0.53
DRD2 P14416 2/20 0.52
DRD3 P35462 1/20 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
SCHEMBL6598700 1.00 HTR1A (0.75) HTR1AHTR1DTP53MAPTDRD4
SCHEMBL6597325 0.86 HTR1A (1.00) HTR1AHTR1DTP53MAPT
Hydrochloric Acid SCHEMBL6598512 0.85 HTR1A (0.98) HTR1AHTR1DTP53MAPT
SCHEMBL6600129 0.81 HTR1A (0.55) HTR1AHTR1DMAPTDRD4DRD2
SCHEMBL6600132 0.81 HTR1A (0.55) HTR1AHTR1DMAPTDRD4DRD2
SCHEMBL6351477 0.80 DRD4 (0.76) HTR1AMAPTDRD4DRD2DRD3
SCHEMBL6351475 0.80 DRD4 (0.76) HTR1AMAPTDRD4DRD2DRD3
SCHEMBL8120660 0.78 DRD4 (0.58) HTR1AHTR1DMAPTDRD4DRD2
Hydrochloric Acid SCHEMBL6600035 0.76 HTR1A (0.98) HTR1AHTR1DMAPT
SCHEMBL7988547 0.76 HTR1A (0.81) HTR1AHTR1DMAPT

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 6 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 claimed
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US claimed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 EP claimed
EP-1008594-B1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA LAB (ES) 2004-03-17 EP disclosed
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US 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