SCHEMBL6974866

SCHEMBL6974866

CN(CCCl)CCCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.72
AOC3 Q16853 1/20 0.58
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
FDPS P14324 1/20 0.53

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
Hydrochloric Acid SCHEMBL9349762 0.91 SIGMAR1 (0.70) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL12902332 0.90 SIGMAR1 (0.88) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL28760322 0.88 SIGMAR1 (0.63) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL11133953 0.86 SIGMAR1 (0.96) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL7359447 0.85 SIGMAR1 (0.70) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL8096630 0.84 SIGMAR1 (1.00) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL18773747 0.82 SIGMAR1 (0.86) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL7972498 0.81 SIGMAR1 (0.72) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL6968328 0.81 SIGMAR1 (0.72) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL11104325 0.81 SIGMAR1 (0.72) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3

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-0801063-B1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2003-01-15 EP disclosed
EP-0801063-A1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-10-15 EP disclosed