SCHEMBL30935381

SCHEMBL30935381

O=S(=O)(Oc1ccc2c(c1)CCCC21SCCS1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
HTR1D P28221 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM1A O60341 2/20 0.36
CHRM1 P11229 4/20 0.33
DRD4 P21917 3/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL10158670 0.82 STS (0.42) STSDRD2DRD3HTR1DCA1
SCHEMBL5026108 0.77 STS (0.64) STSDRD2DRD3HTR1DCA1
SCHEMBL4427945 0.77 STS (0.59) STSDRD2DRD3HTR1DCA1
SCHEMBL21468547 0.75 STS (0.62) STSDRD2DRD3HTR1DCA1
SCHEMBL6557372 0.75 PTGS1 (0.42) STSDRD2DRD3HTR1DCA1
SCHEMBL8438305 0.73 RXRA (0.40) STSDRD2DRD3HTR1DCA1
SCHEMBL14053247 0.71 BACE1 (0.38) KDM1A
SCHEMBL3464939 0.70 DRD2 (0.35) DRD2DRD3HTR1DCA1CA2
SCHEMBL25186921 0.70 DRD2 (0.38) STSDRD2DRD3HTR1DCA1
SCHEMBL1513290 0.70 MAOA (0.53) STSDRD2DRD3HTR1D

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
WO-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed