SCHEMBL6598932

SCHEMBL6598932

COc1ccccc1N1CCN(CCC(=O)c2sc3ccc(C)cc3c2C)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.61
HTR1D P28221 1/20 0.58
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
MEN1 O00255 2/20 0.52
DRD3 P35462 1/20 0.51

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
Hydrochloric Acid SCHEMBL6597392 0.99 HTR1A (0.60) HTR1AHTR1DKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6599492 0.89 HTR1A (0.66) HTR1AHTR1DKMT2AALDH1A1MAPT
SCHEMBL7970947 0.89 HTR1A (0.50) HTR1AHTR1DKMT2AALDH1A1MAPT
SCHEMBL7970944 0.89 HTR1A (0.50) HTR1AHTR1DKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6598470 0.82 HTR1A (0.79) HTR1AHTR1DKMT2AALDH1A1MAPT
SCHEMBL7984579 0.80 ACHE (0.52) HTR1AKMT2AALDH1A1MEN1
SCHEMBL6598221 0.80 HTR1A (0.62) HTR1AHTR1DKMT2ADRD2MEN1
Hydrochloric Acid SCHEMBL5364551 0.79 ACHE (0.51) HTR1AKMT2AALDH1A1MEN1
SCHEMBL6600129 0.79 HTR1A (0.55) HTR1AHTR1DKMT2AALDH1A1MAPT
SCHEMBL6600132 0.79 HTR1A (0.55) HTR1AHTR1DKMT2AALDH1A1MAPT

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