SCHEMBL4529829

SCHEMBL4529829

O=C(O)N1CCC(C2OCc3cc(-c4ccncc4)ccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 17/20 0.43
CYP2D6 P10635 1/20 0.39
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
NAMPT P43490 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL4540933 0.88 CYP11B1 (0.44) SCDSCD5NAMPT
SCHEMBL4358178 0.85 GPR119 (0.51)
SCHEMBL4347925 0.84 USP30 (0.40)
SCHEMBL4538463 0.83 NPY2R (0.39) CYP2D6
SCHEMBL4534161 0.83 SCD5 (0.41) SCDSCD5
SCHEMBL4534347 0.83 GPR142 (0.32) GPR142
SCHEMBL4357683 0.83 POLB (0.48)
SCHEMBL4533028 0.83 HPGD (0.41)
SCHEMBL4533472 0.83 KMT2A (0.44)
SCHEMBL4536658 0.82 GPR119 (0.39)

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