SCHEMBL28401004

SCHEMBL28401004

CC(C)(C)OC(=O)N1CCN(c2ccc(OC3COC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GPR119 Q8TDV5 10/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NAMPT P43490 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL28400900 0.91 GPR119 (0.52) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL28397493 0.91 GPR119 (0.52) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL28397494 0.91 GPR119 (0.52) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL5239182 0.88 GPR119 (0.63) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL20305694 0.85 MAPT (0.56) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL20305696 0.85 MAPT (0.56) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL23410150 0.84 GPR119 (0.61) LMNAGPR119SMN1; SMN2USP2
SCHEMBL15749513 0.84 GPR119 (0.56) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL5272983 0.83 GPR119 (0.55) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL8226799 0.83 GPR119 (0.53) MAPTLMNAALDH1A1GPR119SMN1; SMN2

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
CN-111072675-A Nitrogen-containing fused tricyclic derivatives and uses thereof 广东东阳光药业有限公司 2020-04-28 CN disclosed