SCHEMBL7103771

SCHEMBL7103771

O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)n1ccc(C2CCCNC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
HTR2A P28223 2/20 0.43
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV4 Q9HBA0 5/20 0.39
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL5253204 0.78 HTR6 (0.73) HTR6HTR2A
SCHEMBL5252125 0.74 HTR6 (0.55) HTR6HTR2A
SCHEMBL7164227 0.69 PKM (0.47) HTR6MEN1ALDH1A1TSHRKMT2A
SCHEMBL2185861 0.68 GRM4 (0.45) HTR6HTR2AMEN1ALDH1A1TSHR
SCHEMBL12809959 0.68 HTR2C (0.66) HTR6HTR2A
SCHEMBL7096028 0.67 HTR6 (0.66) HTR6HTR2AL3MBTL1CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL568208 0.66 HTR2C (0.67) HTR6HTR2A
SCHEMBL3693533 0.66 HTR2C (0.69) HTR2A
SCHEMBL15650799 0.65 HTR2A (0.54) HTR6HTR2A
Hydrochloric Acid SCHEMBL567713 0.65 HTR2C (0.70) HTR2A

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-1355904-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP claimed
WO-2002051837-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 WO claimed