SCHEMBL28863731

SCHEMBL28863731

CC(C)(C)OC(=O)N1CCNCC1.O=Nc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ GRM5 P41594 2/20 0.45
▸ DTYMK P23919 1/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ GRM1 Q13255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40

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
2-Aminopyridine SCHEMBL28404259 0.83 GPR119 (0.53) GPR119MAPK1POLBGRM5DTYMK
2-Picolinic Acid SCHEMBL28101337 0.82 GPR119 (0.52) GPR119MAPK1POLBGRM5CKS1B
2-Pyridinecarboxaldehyde SCHEMBL6182995 0.81 GPR119 (0.51) GPR119MAPK1POLBGRM5DTYMK
SCHEMBL28241913 0.79 MAPK1 (0.50) GPR119MAPK1POLBGRM5DTYMK
Pyridine SCHEMBL28276860 0.78 MAPK1 (0.49) GPR119MAPK1POLBGRM5
Benzene SCHEMBL29155321 0.77 USP2 (0.53) GPR119MAPK1POLBCKS1BSKP1
Methyl Alcohol SCHEMBL28769289 0.77 USP2 (0.56) GPR119MAPK1KDM4E
SCHEMBL8286 0.76 USP2 (0.58) GPR119MAPK1KDM4E
SCHEMBL1225127 0.76 USP2 (0.58) GPR119MAPK1KDM4E
SCHEMBL587550 0.76 USP2 (0.58) GPR119MAPK1KDM4E

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-108586452-A A kind of synthetic method of Pa Boxini intermediates 重庆市碚圣医药科技股份有限公司 2018-09-28 — — CN disclosed
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