SCHEMBL6168033

SCHEMBL6168033

COc1cc(CN(C(=O)C2=C(c3ccc(OCCO[Si](C)(C)C(C)(C)C)cc3)CCN(C(=O)OC(C)(C)C)C2)C2CC2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.40
P2RX3 P56373 3/20 0.38
SGMS2 Q8NHU3 3/20 0.38
SGMS1 Q86VZ5 2/20 0.38
SLC2A1 P11166 1/20 0.37
REN P00797 3/20 0.37
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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 0.94 SLC2A1 (0.43) GPR119P2RX3SLC2A1RENCYP3A4
SCHEMBL5941768 0.91 GPR119 (0.39) GPR119RENCYP3A4
SCHEMBL5942247 0.91 GPR119 (0.43) GPR119P2RX3SGMS2SGMS1SLC2A1
SCHEMBL5942215 0.91 P2RX3 (0.40) GPR119P2RX3RENCYP3A4CHRM5
SCHEMBL5942272 0.90 REN (0.40) GPR119RENCYP3A4
SCHEMBL5941992 0.89 CYP3A4 (0.41) GPR119SLC2A1RENCYP3A4
SCHEMBL5942462 0.88 REN (0.44) GPR119RENCYP3A4
SCHEMBL6166673 0.88 GPR119 (0.41) GPR119SLC2A1RENCYP3A4
SCHEMBL5942294 0.85 REN (0.46) RENCYP3A4
SCHEMBL5942704 0.85 REN (0.40) GPR119RENCYP3A4

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