SCHEMBL6472087

SCHEMBL6472087

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.76
MAPT P10636 4/20 0.48
HSD17B2 P37059 1/20 0.45
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PTPN2 P17706 3/20 0.42
PTPN1 P18031 3/20 0.42
PTPN5 P54829 3/20 0.42
HSPD1 P10809 2/20 0.42
HSPE1 P61604 2/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TOP2A P11388 1/20 0.41
TP53 P04637 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
SCHEMBL4480862 0.86 HTR6 (1.00) HTR6MAPTLMNASMN1; SMN2HTR2C
SCHEMBL4477508 0.86 HTR6 (0.80) HTR6MAPTHSD17B2PGRPTPN2
SCHEMBL6475723 0.86 HTR6 (0.80) HTR6MAPTPGRLMNA
Water SCHEMBL4559431 0.86 HTR6 (0.98) HTR6MAPTLMNASMN1; SMN2HTR2C
Water SCHEMBL4559433 0.86 HTR6 (0.98) HTR6MAPTLMNASMN1; SMN2HTR2C
SCHEMBL6476010 0.83 HTR6 (0.81) HTR6HSD17B2LMNASMN1; SMN2KMT2A
SCHEMBL4482936 0.81 HTR6 (0.81) HTR6MAPTLMNAHTR2CKMT2A
SCHEMBL3324653 0.78 HTR6 (0.72) HTR6PGRPTPN2PTPN1PTPN5
SCHEMBL6476587 0.75 MAPT (0.54) HTR6MAPTHSD17B2NR3C1PGR
SCHEMBL4195878 0.74 NR3C1 (0.54) HTR6MAPTHSD17B2NR3C1PGR

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-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO claimed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO disclosed