SCHEMBL3945248

SCHEMBL3945248

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](CO)[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.37
GBA1 P04062 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
TSHR P16473 1/20 0.30
RORC P51449 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
SCHEMBL2682327 0.93 REN (0.38) RENGBA1UGCGGBA2TSHR
SCHEMBL3945822 0.93 REN (0.35) REN
SCHEMBL3945819 0.93 REN (0.35) REN
SCHEMBL1036492 0.92 REN (0.37) REN
SCHEMBL3912017 0.92 REN (0.37) REN
SCHEMBL2684381 0.91 REN (0.38) RENGBA1UGCGGBA2TSHR
SCHEMBL5282595 0.91 REN (0.38) RENGBA1UGCGGBA2TSHR
SCHEMBL1040426 0.91 REN (0.35) RENGBA1UGCGGBA2
SCHEMBL2683065 0.89 REN (0.36) RENGBA1UGCGGBA2
SCHEMBL1040446 0.89 REN (0.36) RENRORC

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-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed