SCHEMBL20154887

SCHEMBL20154887

COc1cc(N(C)C)c(Cc2ccc3c(c2)CC3)cc1C1CC(O)CC(CO)O1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.52
SLC5A1 P13866 19/20 0.52
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20155549 0.89 SLC5A2 (0.66) SLC5A2SLC5A1
SCHEMBL20155239 0.87 SLC5A1 (0.65) SLC5A2SLC5A1CYP3A4
SCHEMBL20155244 0.87 SLC5A2 (0.65) SLC5A2SLC5A1
SCHEMBL20155223 0.84 SLC5A2 (0.51) SLC5A2SLC5A1CYP3A4
SCHEMBL20155216 0.83 SLC5A1 (0.55) SLC5A2SLC5A1CYP3A4
SCHEMBL20155174 0.82 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL20139725 0.80 SLC5A2 (0.81) SLC5A2SLC5A1
SCHEMBL20154929 0.79 SLC5A1 (0.53) SLC5A2SLC5A1
SCHEMBL20155212 0.78 SLC5A2 (0.52) SLC5A2SLC5A1CYP3A4
SCHEMBL20155222 0.77 SLC5A1 (0.64) SLC5A2SLC5A1

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
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed