SCHEMBL28501446

SCHEMBL28501446

CC(C)(C)OC(=O)N1CCN(c2nccnc2N2CCOCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
USP2 O75604 1/20 0.59
RECQL P46063 1/20 0.49
GPR119 Q8TDV5 5/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CD O00329 1/20 0.47
POLB P06746 1/20 0.46
PDE10A Q9Y233 1/20 0.46
KIT P10721 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3R1 P27986 1/20 0.45

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
SCHEMBL122648 0.86 PDE10A (0.53) GPR119MAPTALDH1A1LMNAPOLB
SCHEMBL2385593 0.83 GPR119 (0.50) GPR119MAPTALDH1A1LMNAPOLB
SCHEMBL23560764 0.83 GPR119 (0.50) SMN1; SMN2GPR119MAPTALDH1A1LMNA
SCHEMBL7699541 0.83 PDE10A (0.55) SMN1; SMN2USP2RECQLGPR119PIK3CA
SCHEMBL30592010 0.82 POLB (0.60) SMN1; SMN2GPR119MAPTALDH1A1LMNA
SCHEMBL7061217 0.82 GPR119 (0.49) GPR119MAPTALDH1A1LMNAPOLB
SCHEMBL124268 0.82 POLB (0.60) SMN1; SMN2GPR119MAPTALDH1A1LMNA
SCHEMBL31651955 0.81 GPR119 (0.49) GPR119MAPTALDH1A1LMNAPOLB
SCHEMBL26107084 0.81 KIT (0.48) GPR119MAPTALDH1A1LMNAPOLB
SCHEMBL31727610 0.81 SMN1; SMN2 (0.49) SMN1; SMN2USP2RECQLMAPTALDH1A1

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
CN-112154145-B Piperazine azaspiro derivatives 辉瑞大药厂 2023-10-17 CN disclosed
CN-112154145-A Piperazine azaspiro derivatives 辉瑞大药厂 2020-12-29 CN disclosed