SCHEMBL5281822

SCHEMBL5281822

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(CCOC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.35
REN P00797 1/20 0.35
KMT2A Q03164 4/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2683892 1.00 RORC (0.35) RORCRENKMT2ACYP2C9POLB
SCHEMBL2683813 0.96 KMT2A (0.36) RORCRENKMT2ACYP2C9POLB
SCHEMBL2685056 0.95 REN (0.38) RORCRENKMT2ACYP2C9POLB
SCHEMBL2685054 0.94 REN (0.35) RORCRENKMT2ACYP2C9POLB
SCHEMBL4539966 0.94 REN (0.35) RORCRENKMT2ACYP2C9POLB
SCHEMBL2683870 0.94 KMT2A (0.35) RORCRENKMT2ACYP2C9POLB
SCHEMBL5279111 0.94 REN (0.35) RORCRENKMT2ACYP2C9POLB
SCHEMBL2684035 0.94 REN (0.35) RORCRENKMT2ACYP2C9POLB
SCHEMBL3902743 0.94 PKM (0.37) RORCRENKMT2ACYP2C9POLB
SCHEMBL2683799 0.94 KMT2A (0.35) RORCRENKMT2ACYP2C9POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed