SCHEMBL21789094

SCHEMBL21789094

CCOC(=O)C1(NCc2ccc(C(F)(F)F)cc2)CN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
EPHX2 P34913 1/20 0.44
KCNQ2 O43526 3/20 0.43
KCNQ3 O43525 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
LSS P48449 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
P2RX7 Q99572 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MTOR P42345 1/20 0.38
ATM Q13315 1/20 0.38
THRB P10828 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL21777929 0.88 EPHX2 (0.43) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL21789124 0.88 EPHX2 (0.47) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL21777896 0.85 MAPT (0.46) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL21777316 0.84 EPHX2 (0.45) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL16838991 0.81 SSTR3 (0.44) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL21777482 0.80 HPGD (0.45) HPGDSMN1; SMN2
SCHEMBL29116612 0.80 PPARG (0.41) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL16839832 0.73 PPARG (0.46) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL16839837 0.73 KCNQ2 (0.47) PPARGEPHX2KCNQ2KCNQ3KDM4E
SCHEMBL16839878 0.73 KCNQ2 (0.44) PPARGEPHX2KCNQ2KCNQ3KDM4E

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-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed