SCHEMBL8002303

SCHEMBL8002303

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
REN P00797 2/20 0.34
RORC P51449 6/20 0.33
GSK3B P49841 2/20 0.33
KCNH2 Q12809 2/20 0.33
NPY5R Q15761 2/20 0.33
CNR2 P34972 2/20 0.32
HTR4 Q13639 1/20 0.32
TSHR P16473 1/20 0.32
CTSD P07339 1/20 0.31

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
SCHEMBL8001171 1.00 KMT2A (0.36) KMT2ARENRORCGSK3BKCNH2
SCHEMBL8228289 1.00 KMT2A (0.36) KMT2ARENRORCGSK3BKCNH2
SCHEMBL13601245 0.93 KMT2A (0.35) KMT2ARENRORCGSK3BKCNH2
SCHEMBL8001572 0.93 KMT2A (0.35) KMT2ARENRORCGSK3BKCNH2
SCHEMBL8004948 0.90 REN (0.35) KMT2ARENRORCKCNH2NPY5R
SCHEMBL8004344 0.88 KMT2A (0.35) KMT2ARENGSK3BKCNH2TSHR
SCHEMBL4508163 0.88 KMT2A (0.35) KMT2ARENGSK3BKCNH2TSHR
SCHEMBL8001568 0.88 TSHR (0.40) RENTSHR
SCHEMBL13601239 0.86 REN (0.35) KMT2ARENRORCTSHR
SCHEMBL8002690 0.86 REN (0.35) KMT2ARENRORCTSHR

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