SCHEMBL3908167

SCHEMBL3908167

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H]3c3ccc(OCCC[C@@H](C)OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
MAPT P10636 5/20 0.36
CYP3A4 P08684 1/20 0.34
TP53 P04637 3/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3908950 0.90 RORC (0.32) RENPOLBKMT2A
SCHEMBL3902379 0.86 RORC (0.32) REN
SCHEMBL3908170 0.81 REN (0.38) RENMAPTCYP3A4TP53POLB
SCHEMBL3908172 0.81 REN (0.38) RENMAPTCYP3A4TP53POLB
SCHEMBL3916695 0.80 KMT2A (0.34) RENMAPTPOLBTHRBKMT2A
SCHEMBL3916692 0.80 KMT2A (0.34) RENMAPTPOLBTHRBKMT2A
SCHEMBL3915726 0.79 POLB (0.40) RENMAPTTP53POLBTHRB
SCHEMBL3908343 0.78 MAPT (0.42) RENMAPTCYP3A4TP53POLB
SCHEMBL2683234 0.77 REN (0.40) RENMAPTTP53POLBTHRB
SCHEMBL3903708 0.76 GAA (0.35) MAPTKMT2ATSHR

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
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed