SCHEMBL4540933

SCHEMBL4540933

O=C(O)N1CCC(C2OCc3cc(-c4cccnc4)ccc3O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.44
CYP11B2 P19099 13/20 0.44
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
PIK3CA P42336 1/20 0.41
CYP1A2 P05177 2/20 0.39
NAMPT P43490 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL4529829 0.88 GPR142 (0.43) SCDSCD5NAMPT
SCHEMBL4358492 0.86 GPR119 (0.53) CYP11B1CYP11B2
SCHEMBL4536658 0.81 GPR119 (0.39) PIK3CA
SCHEMBL4535866 0.81 GPR119 (0.36) PIK3CA
SCHEMBL4538191 0.79 TNKS (0.41) SCD5PIK3CA
SCHEMBL4540460 0.79 SMN1; SMN2 (0.43) PIK3CA
SCHEMBL4538463 0.78 NPY2R (0.39) CYP11B2CYP1A2
SCHEMBL4534161 0.78 SCD5 (0.41) CYP11B2SCDSCD5
SCHEMBL4534347 0.78 GPR142 (0.32)
SCHEMBL4530032 0.77 ALDH1A1 (0.34) NAMPT

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed