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SCHEMBL5280640

SCHEMBL5280640

COCCCN1C(=O)COc2ccc(C=C[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(C(=O)OC)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL2684144 1.00 TP53 (0.40) TP53POLBMAPTTHRBTSHR
SCHEMBL2683482 0.86 TP53 (0.40) TP53POLBMAPTTHRBTSHR
SCHEMBL2684531 0.81 TP53 (0.39) TP53POLBMAPTTHRBTSHR
SCHEMBL5282806 0.81 TP53 (0.39) TP53POLBMAPTTHRBTSHR
SCHEMBL2683234 0.80 REN (0.40) TP53POLBMAPTTHRBTSHR
SCHEMBL3915726 0.78 POLB (0.40) TP53POLBMAPTTHRBTSHR
SCHEMBL2682607 0.76 GLA (0.41) TSHRKMT2ACYP2C9MEN1
SCHEMBL5361146 0.76 GLA (0.41) TSHRKMT2ACYP2C9MEN1
SCHEMBL4532096 0.74 TSHR (0.38) TP53POLBMAPTTHRBTSHR
SCHEMBL1035254 0.74 TSHR (0.38) TP53POLBMAPTTHRBTSHR

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