SCHEMBL6166673

SCHEMBL6166673

CC(C)(C)OC(=O)N1CCC(c2ccc(OCCO[Si](C)(C)C(C)(C)C)cc2)=C(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
SLC6A9 P48067 7/20 0.40
KCNH2 Q12809 6/20 0.40
SLC6A5 Q9Y345 6/20 0.40
CYP2D6 P10635 6/20 0.40
CYP3A4 P08684 3/20 0.38
SLC2A1 P11166 1/20 0.38
NTRK1 P04629 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
REN P00797 5/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL5941824 0.93 SLC2A1 (0.43) GPR119CYP3A4SLC2A1REN
SCHEMBL5942077 0.92 GPR119 (0.44) GPR119SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL5941992 0.91 CYP3A4 (0.41) GPR119CYP3A4SLC2A1REN
SCHEMBL5942462 0.90 REN (0.44) GPR119SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL6168033 0.88 GPR119 (0.40) GPR119CYP3A4SLC2A1REN
SCHEMBL5941768 0.88 GPR119 (0.39) GPR119CYP3A4REN
SCHEMBL5942215 0.86 P2RX3 (0.40) GPR119CYP3A4REN
SCHEMBL5941990 0.84 CYP3A4 (0.45) CYP3A4REN
SCHEMBL5942419 0.84 SLC2A1 (0.44) GPR119CYP3A4SLC2A1REN
SCHEMBL5942264 0.84 REN (0.47) GPR119CYP3A4REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed