SCHEMBL27536635

SCHEMBL27536635

COc1cccc(N2CCN(CCC(Oc3cccc4ccccc34)c3ccsc3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.77
HTR1D P28221 1/20 0.77
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
DRD2 P14416 2/20 0.47
KCNH2 Q12809 1/20 0.47
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 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
SCHEMBL8130495 0.87 HTR1A (1.00) HTR1AHTR1DSLC6A2SLC6A4DRD2
Hydrochloric Acid SCHEMBL6599075 0.86 HTR1A (0.98) HTR1AHTR1DSLC6A2SLC6A4DRD2
Hydrochloric Acid SCHEMBL27544024 0.84 HTR1A (0.74) HTR1AHTR1DSLC6A2SLC6A4DRD2
SCHEMBL6601964 0.74 HTR1A (0.84) HTR1AHTR1D
Hydrochloric Acid SCHEMBL6599055 0.72 HTR1A (0.98) HTR1AHTR1DSLC6A2SLC6A4DRD2
SCHEMBL6599069 0.71 HTR1A (1.00) HTR1AHTR1DDRD2DRD3KMT2A
SCHEMBL3458 0.71 SLC6A2 (0.71) HTR1AHTR1DSLC6A2SLC6A4
SCHEMBL3967638 0.71 SLC6A4 (1.00) HTR1ASLC6A2SLC6A4DRD2KCNH2
SCHEMBL3359634 0.71 SLC6A4 (1.00) HTR1ASLC6A2SLC6A4DRD2KCNH2
Hydrochloric Acid SCHEMBL4413256 0.70 SLC6A4 (0.98) HTR1ASLC6A2SLC6A4DRD2KCNH2

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
CN-1265106-A Thiophene and benzothiophene derivatives and corresponding uses and compositions VITA INVEST SA (ES) 2000-08-30 CN claimed