SCHEMBL8258484

SCHEMBL8258484

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.34
RORC P51449 3/20 0.31
MAPT P10636 3/20 0.31
THRB P10828 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3550462 1.00 REN (0.34) RENRORCMAPTTHRBALDH1A1
SCHEMBL2947415 1.00 REN (0.34) RENRORCMAPTTHRBALDH1A1
SCHEMBL2925854 0.93 REN (0.34) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3466476 0.93 REN (0.35) RENRORCMAPTTHRBALDH1A1
SCHEMBL8258555 0.93 REN (0.34) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL4583132 0.93 REN (0.35) RENRORCMAPTTHRBALDH1A1
SCHEMBL8257866 0.93 REN (0.35) RENRORCMAPTTHRBALDH1A1
SCHEMBL2915948 0.92 REN (0.35) REN
SCHEMBL2922551 0.92 REN (0.35) REN
SCHEMBL8260954 0.92 REN (0.34) RENRORCMAPTTHRBALDH1A1

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-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed