SCHEMBL6596142

SCHEMBL6596142

COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 1.00
ALDH1A1 P00352 2/20 0.69
MAPT P10636 1/20 0.69
HTT P42858 1/20 0.69
KMT2A Q03164 1/20 0.69
HTR1D P28221 1/20 0.63
POLB P06746 1/20 0.62

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 SCHEMBL6599417 0.98 HTR1A (0.96) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL6352028 0.86 HTR1A (1.00) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL9652182 0.84 DRD2 (0.72) HTR1A
SCHEMBL11759007 0.83 ALDH1A1 (0.87) HTR1AALDH1A1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL6599198 0.83 HTR1A (0.98) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL9652828 0.81 DRD2 (0.81) HTR1AMAPT
SCHEMBL9653767 0.80 HTR1A (0.67) HTR1AALDH1A1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL6599252 0.80 HTR1A (0.98) HTR1AALDH1A1KMT2A
SCHEMBL6597096 0.80 HTR1A (0.66) HTR1AALDH1A1MAPTHTTKMT2A
Benzene SCHEMBL10433203 0.80 HTR1A (0.79) HTR1AALDH1A1MAPTHTTKMT2A

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