SCHEMBL20042891

SCHEMBL20042891

CCC1c2c(nc(C)nc2N2CCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SCN5A Q14524 1/20 0.35
SCN3A Q9NY46 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.33
SCN4A P35499 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CTSK P43235 1/20 0.32
ACACA Q13085 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
SCHEMBL31614910 0.85 PDE10A (0.35) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL20042838 0.85 PDE10A (0.35) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL20042875 0.85 PDE10A (0.35) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL31615020 0.85 PDE10A (0.35) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL31615013 0.85 PDE10A (0.35) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL20042908 0.83 MEN1 (0.39) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL31614776 0.76 PDE10A (0.36) GPR119CKS1BSKP1SKP2PIK3CD
SCHEMBL20042916 0.76 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASCN5ASCN3A
SCHEMBL20042910 0.76 P2RX7 (0.42) KMT2ASMN1; SMN2LMNA
SCHEMBL20042904 0.76 P2RX7 (0.42) KMT2ASMN1; SMN2LMNA

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed