SCHEMBL9407285

SCHEMBL9407285

N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PRCP P42785 1/20 0.35
CTRB1 P17538 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34
FKBP1A P62942 1/20 0.34
KMT2A Q03164 1/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 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
SCHEMBL9407277 0.85 F2 (0.38) PREPDPP4DPP8DPP9DPP7
SCHEMBL8837271 0.79 OPRD1 (0.39) DPP4F10PRSS1PLG
SCHEMBL9407310 0.78 DPP4 (0.38) DPP4DPP8DPP9DPP7PRCP
SCHEMBL2030163 0.76 FOLH1 (0.47) DPP8DPP7TPSAB1TPSD1TPSG1
SCHEMBL2030161 0.76 FOLH1 (0.47) DPP8DPP7TPSAB1TPSD1TPSG1
SCHEMBL11079616 0.74 DPP4 (0.41) PREPDPP4DPP8DPP9DPP7
SCHEMBL11430263 0.74 DPP4 (0.42) PREPDPP4DPP8DPP9DPP7
SCHEMBL29266083 0.74 FOLH1 (0.46) DPP8DPP7TPSAB1TPSD1TPSG1
SCHEMBL5981757 0.71 TPSAB1 (0.55) MAPTKMT2ATPSAB1TPSD1TPSG1
SCHEMBL3623326 0.69 FOLH1 (0.51) DPP8DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed