SCHEMBL19909613

SCHEMBL19909613

O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.47
HSD11B1 P28845 4/20 0.42
TSHR P16473 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.36
DPP4 P27487 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL19909607 0.81 BPTF (0.71) BPTFHSD11B1TSHRDPP8DPP9
SCHEMBL19909619 0.77 BPTF (0.46) BPTFHSD11B1TSHRDPP8DPP9
SCHEMBL31119839 0.76 BPTF (0.72) BPTFHSD11B1TSHRLMNAEPHX2
SCHEMBL1788313 0.71 POLB (0.66) HSD11B1TSHRGAALMNAALDH1A1
SCHEMBL19909609 0.70 DPP4 (0.64) BPTFHSD11B1DPP8DPP9GAA
SCHEMBL19909608 0.70 DPP4 (0.64) BPTFHSD11B1DPP8DPP9GAA
SCHEMBL17818866 0.70 POLB (0.50) TSHRDPP8DPP9GAAALDH1A1
SCHEMBL19909647 0.69 DPP4 (0.45) BPTFHSD11B1DPP8DPP9GAA
SCHEMBL15600035 0.69 DPP4 (0.45) BPTFHSD11B1DPP8DPP9GAA
SCHEMBL18637917 0.67 DPP4 (0.40) BPTFHSD11B1DPP8DPP9GAA

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-3122724-B1 A PROCESS FOR PRODUCING SAXAGLIPTIN ZENTIVA KS (CZ) 2018-02-28 EP disclosed