SCHEMBL7737673

SCHEMBL7737673

O=C1COc2c(OS(=O)(=O)C(F)(F)F)cccc2N1CCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.41
HTR6 P50406 1/20 0.39
PKM P14618 5/20 0.39
DRD2 P14416 4/20 0.37
HTR2A P28223 2/20 0.37
MCHR1 Q99705 2/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
LTA4H P09960 1/20 0.34
CHRM1 P11229 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL7737728 0.81 HTR6 (0.45) SLC5A2HTR6PKMDRD2HTR2A
SCHEMBL7737292 0.77 SLC5A2 (0.39) SLC5A2HTR6PKMDRD2HTR2A
SCHEMBL7737820 0.74 PTGER3 (0.41) SLC5A2HTR6PKMDRD2HTR2A
SCHEMBL7737826 0.74 PTGER3 (0.41) SLC5A2HTR6PKMDRD2HTR2A
SCHEMBL27499139 0.71 CHRM1 (0.39) SLC5A2HTR6DRD2HTR2AMCHR1
SCHEMBL19682942 0.68 PKM (0.44) SLC5A2HTR6PKMGAAALDH1A1
SCHEMBL7730166 0.67 CHRM1 (0.38) HTR6DRD2HTR2AMCHR1ALDH1A1
SCHEMBL14151328 0.64 FFAR1 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7730214 0.63 SLC6A4 (0.41) DRD2HTR2AMCHR1
SCHEMBL2599677 0.63 HTR6 (0.64) HTR6ALDH1A1MEN1KMT2ADRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1202084-C Fused benzene heterocycle derivatives and utilization thereof TORAY INDUSTRIES (JP) 2005-05-18 CN disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
CN-1287553-A Fused benzene heterocycle derivatives and utilization thereof TORAY INDUSTRIES (JP) 2001-03-14 CN disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed