SCHEMBL6607803

SCHEMBL6607803

Cc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 1.00
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 1/20 0.50
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.44

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
SCHEMBL6599023 0.86 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6597603 0.85 HTR1A (0.98) HTR1AHTR1D
SCHEMBL6598541 0.76 HTR1A (0.65) HTR1AHTR1D
SCHEMBL6598942 0.75 HTR1A (1.00) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6599712 0.74 HTR1A (0.98) HTR1AALDH1A1MAPTGFERHTR1D
SCHEMBL28185020 0.72 HTR1A (0.73) HTR1A
SCHEMBL6598604 0.68 HTR1A (0.68) HTR1AHTR1D
SCHEMBL6598764 0.67 HTR1A (1.00) HTR1AHTR1D
SCHEMBL5470993 0.67 GAA (0.58) HTR1AALDH1A1MAPT
SCHEMBL27910321 0.67 HTR1A (0.52) HTR1AHTR1DHTR2C

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