SCHEMBL8007301

SCHEMBL8007301

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(C)=O)NC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.37
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
BACE1 P56817 1/20 0.31
RORC P51449 3/20 0.31
PTGER3 P43115 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8007298 0.92 REN (0.36) RENKMT2ATSHRBACE1RORC
SCHEMBL4512268 0.90 REN (0.35) RENKMT2ATSHRRORC
SCHEMBL4510550 0.89 KMT2A (0.38) RENKMT2ATSHRBACE1RORC
SCHEMBL4502016 0.89 REN (0.34) RENKMT2ATSHRBACE1
SCHEMBL13601221 0.89 REN (0.34) RENKMT2ATSHRBACE1
SCHEMBL4502114 0.89 REN (0.34) RENKMT2ATSHRBACE1
SCHEMBL4508289 0.88 REN (0.36) RENKMT2ATSHRBACE1SMN1; SMN2
SCHEMBL8004194 0.88 REN (0.34) RENKMT2ATSHRBACE1
SCHEMBL4495264 0.88 REN (0.35) RENKMT2ATSHR
SCHEMBL4514373 0.88 REN (0.38) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed