SCHEMBL6508620

SCHEMBL6508620

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
LMNA P02545 3/20 0.47
HTR7 P34969 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTR6 P50406 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SIRT6 Q8N6T7 1/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6504564 0.90 HTR6 (0.54) MAPTLMNAL3MBTL1HTR6DRD2
SCHEMBL6501509 0.88 HTR6 (0.46) MAPTLMNAHTR6DRD2HTR2A
SCHEMBL6506073 0.88 LMNA (0.44) MAPTLMNAHTR7L3MBTL1HTR6
SCHEMBL6500880 0.87 LMNA (0.51) MAPTLMNAHTR7L3MBTL1HTR6
SCHEMBL6510748 0.87 HTR6 (0.46) HTR6DRD2HTR2AHTR2CDRD3
SCHEMBL6502583 0.87 LMNA (0.48) MAPTLMNAL3MBTL1HTR6DRD2
SCHEMBL6509242 0.86 MAOB (0.54) MAPTLMNAHTR7HTR6HTR2A
SCHEMBL6507562 0.85 MAPT (0.57) MAPTLMNAHTR7L3MBTL1HTR6
SCHEMBL6501982 0.85 DRD2 (0.47) MAPTLMNAL3MBTL1HTR6DRD2
Hydrochloric Acid SCHEMBL6504357 0.85 MAOB (0.53) MAPTLMNAHTR7HTR6HTR2A

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-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed