SCHEMBL21152701

SCHEMBL21152701

Cc1nn(C2CCCCO2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.34
RET P07949 6/20 0.33
DRD1 P21728 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
MAPT P10636 1/20 0.32
ATR Q13535 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL17675453 0.83 GAA (0.49) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL21002088 0.83 GAA (0.49) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL15445676 0.81 GAA (0.47) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL25389805 0.80 GAA (0.46) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL15334772 0.80 GAA (0.40) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL29250238 0.79 GAA (0.48) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL17675672 0.79 GAA (0.45) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL15451470 0.77 GAA (0.38) GAACYP4F2CYP4A11LMNAALDH1A1
SCHEMBL3082406 0.75 GAA (0.42) GAACYP4F2CYP4A11
SCHEMBL22552469 0.74 GAA (0.54) GAACYP4F2CYP4A11LMNAALDH1A1

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-3204378-B3 N-PYRIDINYL ACETAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY REDX PHARMA PLC (GB) 2022-05-25 EP disclosed
EP-3204378-B1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY REDX PHARMA PLC (GB) 2019-07-10 EP disclosed