SCHEMBL17698489

SCHEMBL17698489

Cc1ccc(COB(C2CCCCN2)C(OC(B(OCc2ccc(C)c(Cl)c2)C2CCCCN2)c2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.37
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 6/20 0.37
TACR1 P25103 3/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
DHFR P00374 1/20 0.34
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2397063 0.72 LTA4H (0.38) SLC6A3SLC6A2SLC6A4
SCHEMBL12271070 0.62 LTA4H (0.45)
SCHEMBL12266333 0.61 LTA4H (0.43)
SCHEMBL10132431 0.61 POLB (0.47) ALDH1A1
SCHEMBL12270487 0.60 SSTR2 (0.43)
SCHEMBL2398413 0.60 ALDH1A1 (0.39) ALDH1A1HTTLMNATDP1
SCHEMBL2398516 0.60 ALDH1A1 (0.39) ALDH1A1HTTLMNATDP1
SCHEMBL2406262 0.60 LTA4H (0.46)
SCHEMBL12319283 0.59 LTA4H (0.42)
SCHEMBL2398467 0.59 ALDH1A1 (0.37) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed