SCHEMBL4960585

SCHEMBL4960585

COCCCN1CCOc2ccc(COC3CN[C@@H](C[C@H](O)C(C)C)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.34
RORC P51449 4/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KCNH2 Q12809 1/20 0.30
THRB P10828 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2926312 1.00 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL2922570 1.00 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL2922568 1.00 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL3465765 0.94 REN (0.35) RENRORCMEN1KMT2AMAPT
SCHEMBL3465766 0.94 REN (0.35) RENRORCMEN1KMT2AMAPT
SCHEMBL13435408 0.94 REN (0.35) RENRORCMEN1KMT2AMAPT
SCHEMBL13435410 0.92 REN (0.35) RENRORC
SCHEMBL2926597 0.92 REN (0.35) RENRORC
SCHEMBL2923802 0.92 REN (0.35) RENRORC
SCHEMBL2923804 0.92 REN (0.35) RENRORC

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