SCHEMBL8227900

SCHEMBL8227900

CNC(=O)C(C)(C)CC1CC[C@@H](OCc2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)CN1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4508789 1.00 REN (0.38) RENCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8218930 0.90 REN (0.35) RENCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4506150 0.90 REN (0.35) RENCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8001573 0.82 REN (0.31) REN
SCHEMBL8007298 0.82 REN (0.36) RENKMT2ASMN1; SMN2
SCHEMBL4497706 0.82 REN (0.31) REN
SCHEMBL4518166 0.81 REN (0.32) RENCYP2C9
SCHEMBL4518167 0.81 REN (0.32) RENCYP2C9
SCHEMBL13607672 0.79
SCHEMBL13601259 0.77

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-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed