Sugi Predict

Sugi Predict / Compounds / SCHEMBL3399302

SCHEMBL3399302

SCHEMBL3399302

CCO[C@H](C)COCc1ccc([C@H]2C[C@H](CC(C)=O)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ REN P00797 1/20 0.30

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
SCHEMBL3399305 1.00 RORC (0.33) RORCCYP2C9POLBREN
SCHEMBL2390896 0.96 RORC (0.33) RORCCYP2C9REN
SCHEMBL2390898 0.96 RORC (0.33) RORCCYP2C9REN
SCHEMBL2390078 0.94 RORC (0.32) RORCCYP2C9
SCHEMBL2390081 0.94 RORC (0.32) RORCCYP2C9
SCHEMBL2390330 0.94 CYP2C9 (0.32) RORCCYP2C9REN
SCHEMBL2390336 0.94 CYP2C9 (0.32) RORCCYP2C9REN
SCHEMBL2389233 0.94 RORC (0.32) RORCCYP2C9
SCHEMBL2391903 0.94 RORC (0.34) RORCCYP2C9REN
SCHEMBL2389229 0.94 RORC (0.32) RORCCYP2C9

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-2250166-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-11-17 — — EP disclosed
WO-2009098276-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed