SCHEMBL6598110

SCHEMBL6598110

OC(CCN1CCN(c2cccc3c2OCCO3)CC1)c1csc2ccc(F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 1.00
HTR1D P28221 1/20 0.52
DRD2 P14416 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
SCHEMBL6598390 0.90 HTR1A (0.82) HTR1AHTR1D
SCHEMBL6597228 0.86 HTR1A (0.75) HTR1AHTR1D
SCHEMBL6596685 0.85 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6596271 0.80 HTR1A (0.67) HTR1AHTR1D
SCHEMBL7982396 0.80 HTR1A (0.81) HTR1AHTR1D
SCHEMBL6596051 0.80 HTR1A (0.66) HTR1AHTR1D
Hydrochloric Acid SCHEMBL7985771 0.79 HTR1A (0.80) HTR1AHTR1D
SCHEMBL6598285 0.79 HTR1A (0.66) HTR1AHTR1D
SCHEMBL6598386 0.79 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6596742 0.78 HTR1A (1.00) HTR1AHTR1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP claimed