SCHEMBL5069719

SCHEMBL5069719

COCCCN1CCOc2ccc(COC3CN(C(=O)O)CC(CN)C3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
THRB P10828 5/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
PIK3CD O00329 4/20 0.32
PIK3CA P42336 3/20 0.32
KMT2A Q03164 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32

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
SCHEMBL3902420 1.00 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1036492 0.94 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3912017 0.94 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1038488 0.91 BCL9 (0.36) RENTHRBTP53AXLMERTK
SCHEMBL1039229 0.91 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3910212 0.90 THRB (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1038926 0.90 REN (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1035197 0.90 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3902895 0.90 REN (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3945444 0.90 REN (0.35) RENTHRBALDH1A1CYP3A4CYP2D6

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-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 WO disclosed