SCHEMBL6510748

SCHEMBL6510748

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccc(C)cc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HSD11B1 P28845 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
SLC6A4 P31645 1/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
SCHEMBL6502583 0.91 LMNA (0.48) HTR6ALDH1A1HPGDDRD2HTR2A
SCHEMBL6500880 0.91 LMNA (0.51) HTR6MAPK1ALDH1A1MEN1KMT2A
SCHEMBL6509242 0.90 MAOB (0.54) HTR6MEN1KMT2AHTR2AHTR2C
SCHEMBL6504564 0.90 HTR6 (0.54) HTR6DRD2HTR2AHTR2CDRD3
Hydrochloric Acid SCHEMBL6504357 0.89 MAOB (0.53) HTR6MEN1KMT2AHTR2AHTR2C
SCHEMBL6500166 0.87 HTR1A (0.43) HTR6MAPK1HSD17B10DRD2DRD3
SCHEMBL6507562 0.87 MAPT (0.57) HTR6ALDH1A1HPGDMEN1KMT2A
SCHEMBL6508601 0.87 TNF (0.48) ALDH1A1KMT2APOLB
SCHEMBL6511504 0.87 DRD2 (0.52) MAPK1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6508620 0.87 MAPT (0.49) HTR6HSD17B10DRD2HTR2AHTR2C

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