SCHEMBL8004344

SCHEMBL8004344

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
REN P00797 2/20 0.33
TSHR P16473 1/20 0.32
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALDH2 P05091 1/20 0.31
WDR5 P61964 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
SCHEMBL4508163 1.00 KMT2A (0.35) KMT2ARENTSHRGSK3BKCNH2
SCHEMBL4510550 0.97 KMT2A (0.38) KMT2ARENTSHRALDH2
SCHEMBL8001001 0.91 KMT2A (0.33) KMT2ARENTSHR
SCHEMBL7992016 0.91 KMT2A (0.33) KMT2ARENTSHR
SCHEMBL4492525 0.91 REN (0.33) KMT2ARENTSHRMAPTTHRB
SCHEMBL4492527 0.91 REN (0.33) KMT2ARENTSHRMAPTTHRB
SCHEMBL4502016 0.91 REN (0.34) KMT2ARENTSHRKCNH2MAPT
SCHEMBL4506756 0.90 PKM (0.34) KMT2ARENTSHRMAPTTHRB
SCHEMBL4509437 0.90 REN (0.31) KMT2AREN
SCHEMBL4495105 0.90 REN (0.31) KMT2AREN

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
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed