SCHEMBL30069764

SCHEMBL30069764

CCOC(=O)C1(NCc2ccc(F)c(F)c2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PARP1 P09874 3/20 0.38
GPR119 Q8TDV5 3/20 0.38
DPP4 P27487 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
RORC P51449 1/20 0.36
S1PR3 Q99500 1/20 0.36
RIPK1 Q13546 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 1/20 0.36
PREP P48147 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL26981951 1.00 ALDH1A1 (0.41) ALDH1A1PARP1GPR119DPP4JAK2
SCHEMBL26981939 0.86 NPSR1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL21777896 0.84 MAPT (0.46) ALDH1A1GPR119RORCMEN1KMT2A
SCHEMBL16112282 0.84 RORC (0.40) ALDH1A1GPR119JAK2JAK1RORC
SCHEMBL26981991 0.79 JAK2 (0.43) PARP1GPR119DPP4JAK2JAK1
SCHEMBL26981981 0.77 RIPK1 (0.38) ALDH1A1PARP1DPP4JAK2JAK1
SCHEMBL21778061 0.76 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL30764762 0.73 PARP1 (0.48) PARP1GPR119DPP4JAK2JAK1
SCHEMBL26982000 0.72 USP30 (0.47) ALDH1A1GPR119SMN1; SMN2CYP2C19HTT
SCHEMBL429816 0.71 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19

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-4301760-A1 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2024-01-10 EP disclosed
WO-2022187501-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2022-09-09 WO disclosed