SCHEMBL14272005

SCHEMBL14272005

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(C)(C)C(=O)NCCOC)CC3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.36
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
RORC P51449 4/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 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
SCHEMBL3561065 1.00 REN (0.36) RENTSHRMAPTNPC1RAB9A
SCHEMBL2925320 1.00 REN (0.36) RENTSHRMAPTNPC1RAB9A
SCHEMBL1040158 0.96 REN (0.36) RENTSHRMAPTNPC1RAB9A
SCHEMBL2920516 0.95 REN (0.36) RENTSHRMAPTNPC1RAB9A
SCHEMBL2919734 0.95 TSHR (0.35) RENTSHRMAPTTHRBKMT2A
SCHEMBL8455576 0.94 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2923638 0.94 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1038117 0.94 REN (0.34) RENTSHRMAPTNPC1RAB9A
SCHEMBL2917460 0.94 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3466476 0.94 REN (0.35) RENMAPTNPC1RAB9ASMN1; SMN2

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-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed