SCHEMBL5282595

SCHEMBL5282595

COCCCN1CCOc2ccc(COC3CN(C(=O)O)CC(O)C3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.38
GBA1 P04062 3/20 0.33
UGCG Q16739 3/20 0.33
GBA2 Q9HCG7 3/20 0.33
TSHR P16473 1/20 0.31
RORC P51449 2/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL2684381 1.00 REN (0.38) RENGBA1UGCGGBA2TSHR
SCHEMBL2682327 0.93 REN (0.38) RENGBA1UGCGGBA2TSHR
SCHEMBL2682998 0.92 REN (0.36) REN
SCHEMBL3906198 0.92 REN (0.37) RENRORC
SCHEMBL1039229 0.92 REN (0.38) REN
SCHEMBL4582330 0.92 REN (0.36) RENGBA1UGCGGBA2TSHR
SCHEMBL3945248 0.91 REN (0.37) RENGBA1UGCGGBA2TSHR
SCHEMBL3914348 0.91 REN (0.38) RENRORC
SCHEMBL2684133 0.91 REN (0.39) RENTSHRRORC
SCHEMBL5283932 0.91 REN (0.39) RENTSHRRORC

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-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed