SCHEMBL7306762

SCHEMBL7306762

O=C(NCC(=O)N1CCC[C@H]1C(O)CSc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.59
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GPR55 Q9Y2T6 2/20 0.45
ALDH1A1 P00352 1/20 0.45
DPP4 P27487 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
ACE P12821 1/20 0.43
OPRK1 P41145 1/20 0.41
CASP1 P29466 1/20 0.41
FKBP1A P62942 3/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7307176 0.81 PREP (0.57) PREPKMT2AMEN1ALDH1A1DPP4
SCHEMBL7302338 0.80 PREP (0.67) PREPKMT2A
SCHEMBL7302343 0.80 PREP (0.67) PREPKMT2A
SCHEMBL18281696 0.79 PREP (0.62) PREPKMT2AALDH1A1DPP4DPP7
SCHEMBL18296929 0.79 PREP (0.59) PREPALDH1A1DPP4DPP7DPP8
SCHEMBL25288720 0.77 PREP (0.57) PREPALDH1A1DPP4DPP7DPP8
SCHEMBL25288719 0.77 PREP (0.57) PREPALDH1A1DPP4DPP7DPP8
SCHEMBL25288721 0.77 PREP (0.57) PREPALDH1A1DPP4DPP7DPP8
SCHEMBL11764594 0.77 PREP (0.71) PREPKMT2AALDH1A1ACEFKBP1A
SCHEMBL29874397 0.77 PREP (0.71) PREPKMT2AMEN1ALDH1A1DPP4

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-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed