SCHEMBL20025475

SCHEMBL20025475

CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.59
▸ HSD17B10 Q99714 13/20 0.53
▸ ALDH1A1 P00352 11/20 0.53
▸ CYP2D6 P10635 7/20 0.53
▸ CYP3A4 P08684 5/20 0.53
▸ TSHR P16473 8/20 0.52
▸ HPGD P15428 8/20 0.52
▸ CYP2C19 P33261 5/20 0.52
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HIF1A Q16665 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MGLL Q99685 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ EIF2AK4 Q9P2K8 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GRM5 P41594 1/20 0.43
▸ GRM1 Q13255 1/20 0.43

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
SCHEMBL20025378 0.86 EIF2AK4 (0.47) GPR119MGLLEIF2AK4
SCHEMBL20025065 0.85 GPR119 (0.59) GPR119MGLLEIF2AK4
SCHEMBL20025248 0.85 EIF2AK4 (0.48) GPR119MGLLEIF2AK4
SCHEMBL20025262 0.84 EIF2AK4 (0.46) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4
SCHEMBL20025085 0.84 GPR119 (0.55) GPR119HSD17B10ALDH1A1CYP3A4TSHR
SCHEMBL22941868 0.84 HSD17B10 (0.69) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4
SCHEMBL20025300 0.83 EIF2AK4 (0.45) GPR119MGLLEIF2AK4
SCHEMBL20024996 0.83 EIF2AK4 (0.55) GPR119ALDH1A1MGLLEIF2AK4
SCHEMBL20025388 0.83 EIF2AK4 (0.47) GPR119ALDH1A1MAPK1MGLLEIF2AK4
SCHEMBL20025234 0.82 EIF2AK4 (0.45) GPR119EIF2AK4

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-2018059537-A1 DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF 四川海思科制药有限公司 2018-04-05 — — WO disclosed
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