SCHEMBL20042875

SCHEMBL20042875

Cc1nc2c(c(N3CCC3)n1)[C@@H](C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MAP4K4 O95819 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN4A P35499 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.32
NR4A1 P22736 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 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
SCHEMBL20042838 1.00 PDE10A (0.35) PDE10AGPR119MAP4K4SCN5ASCN3A
SCHEMBL31615013 1.00 PDE10A (0.35) PDE10AGPR119MAP4K4SCN5ASCN3A
SCHEMBL31615020 1.00 PDE10A (0.35) PDE10AGPR119MAP4K4SCN5ASCN3A
SCHEMBL31614910 1.00 PDE10A (0.35) PDE10AGPR119MAP4K4SCN5ASCN3A
SCHEMBL31614776 0.90 PDE10A (0.36) PDE10AGPR119TLR9CKS1BSKP1
SCHEMBL20042828 0.85 CHRM3 (0.40) PDE10AALDH1A1
SCHEMBL20042916 0.85 ALDH1A1 (0.36) PDE10AMAP4K4SCN5ASCN3AALDH1A1
SCHEMBL20042891 0.85 ALDH1A1 (0.36) PDE10AGPR119SCN5ASCN3AALDH1A1
SCHEMBL31615046 0.85 HPGD (0.42) GPR119ALDH1A1MEN1KMT2ACKS1B
SCHEMBL31615054 0.85 HPGD (0.42) GPR119ALDH1A1MEN1KMT2ACKS1B

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