SCHEMBL8552320

SCHEMBL8552320

O=S(=O)(NCCCCN1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.70
HTR6 P50406 8/20 0.68
DRD2 P14416 5/20 0.63
HTR2A P28223 4/20 0.63
HTR1A P08908 3/20 0.63
SCN1A P35498 2/20 0.61
SCN2A Q99250 2/20 0.61
SCN3A Q9NY46 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SLC6A9 P48067 2/20 0.61
CCR1 P32246 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL11111481 0.95 HTR7 (0.66) HTR7HTR6DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL11101388 0.90 SLC6A9 (0.63) HTR7HTR6DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL11101542 0.88 ALOX15 (0.64) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL7322195 0.85 PRKD3 (0.60) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL11101165 0.85 HTR7 (0.67) HTR7HTR6DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL11111993 0.84 HTR7 (0.67) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL8979733 0.82 HTR7 (1.00) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL10978527 0.82 PRKD3 (0.62) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL24069062 0.82 HTR7 (0.68) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL8982867 0.82 HTR7 (0.98) HTR7HTR6DRD2HTR2AHTR1A

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-0883613-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-12-16 EP claimed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 WO claimed