SCHEMBL3908172

SCHEMBL3908172

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.38
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.33
MAPT P10636 5/20 0.32
TP53 P04637 3/20 0.31
POLB P06746 2/20 0.31
THRB P10828 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
SCHEMBL3908170 1.00 REN (0.38) RENCYP3A4TSHRMAPTTP53
SCHEMBL3908957 0.91 REN (0.31) REN
SCHEMBL3908955 0.91 REN (0.31) REN
SCHEMBL3902381 0.87 REN (0.31) REN
SCHEMBL3902386 0.87 REN (0.31) REN
SCHEMBL3908167 0.81 REN (0.37) RENCYP3A4TSHRMAPTTP53
SCHEMBL3915729 0.78 TSHR (0.38) RENCYP3A4TSHRMAPTTP53
SCHEMBL2683235 0.75 REN (0.39) RENCYP3A4TSHRMAPTTP53
SCHEMBL3908950 0.73 RORC (0.32) RENPOLB
SCHEMBL2924106 0.71 MAPT (0.37) RENCYP3A4TSHRMAPTTP53

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