SCHEMBL4598109

SCHEMBL4598109

COCCOCc1ccc(C2=C(C(=O)O)CN(C(=O)OC(C)(C)C)CC2(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.35
RORC P51449 2/20 0.33
USP30 Q70CQ3 2/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
GPR119 Q8TDV5 7/20 0.32
NR1H2 P55055 2/20 0.32
YAP1 P46937 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4598388 0.89 ADORA1 (0.34) TACR1RORCGPR119NR1H2
SCHEMBL4598172 0.79 REN (0.39) GPR119
SCHEMBL4941015 0.76 REN (0.44)
SCHEMBL4611135 0.74 REN (0.36) KIT
SCHEMBL4934280 0.71 NR1H2 (0.41) RORCGPR119NR1H2
SCHEMBL2404304 0.71 NAMPT (0.52) KITGPR119
SCHEMBL4598320 0.70 CHRM5 (0.38) L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL4930538 0.67 REN (0.45) RORC
SCHEMBL4938688 0.66 REN (0.45)
SCHEMBL4597868 0.66 RARG (0.36)

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-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed