SCHEMBL7307176

SCHEMBL7307176

O=C(NCC(=O)N1CCC[C@H]1C(O)C[S+]([O-])c1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.57
ALDH1A1 P00352 2/20 0.44
ACE P12821 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
OPRK1 P41145 1/20 0.40
FKBP1A P62942 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CTRB1 P17538 1/20 0.38
FAP Q12884 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
SCHEMBL7306762 0.81 PREP (0.59) PREPALDH1A1ACEDPP4DPP8
SCHEMBL7300843 0.81 PREP (0.59) PREPALDH1A1ACEFKBP1AKMT2A
SCHEMBL7300832 0.81 PREP (0.59) PREPALDH1A1ACEFKBP1AKMT2A
SCHEMBL7309334 0.80 PREP (0.65) PREPKMT2ACYP3A4TSHRCTRB1
SCHEMBL7308507 0.80 PREP (0.65) PREPKMT2ACYP3A4TSHRCTRB1
SCHEMBL7297939 0.80 PREP (0.65) PREPKMT2ACYP3A4TSHRCTRB1
SCHEMBL7297933 0.80 PREP (0.65) PREPKMT2ACYP3A4TSHRCTRB1
SCHEMBL25288720 0.78 PREP (0.57) PREPALDH1A1ACEDPP4DPP8
SCHEMBL25288721 0.78 PREP (0.57) PREPALDH1A1ACEDPP4DPP8
SCHEMBL25288719 0.78 PREP (0.57) PREPALDH1A1ACEDPP4DPP8

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