SCHEMBL29269482

SCHEMBL29269482

C#CC1CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.44
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
KIT P10721 1/20 0.38
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5310934 0.86 RAB9A (0.47) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL23041797 0.83 GAA (0.62) GAACHRM1NOS3NOS2ALDH1A1
SCHEMBL6238126 0.82 RAB9A (0.48) RAB9AGAAALDH1A1HSD11B1JAK2
SCHEMBL5275189 0.82 RAB9A (0.43) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL704010 0.82 RAB9A (0.51) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL5676009 0.81 RAB9A (0.55) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL794087 0.80 RAB9A (0.50) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL8262844 0.80 RAB9A (0.50) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL4274531 0.79 GAA (0.49) RAB9AGAACHRM1CHRM2NOS3
SCHEMBL793658 0.79 RAB9A (0.49) RAB9AGAACHRM1CHRM2NOS3

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-116940577-A Tricyclic pyridines as cyclin dependent kinase 7 (CDK 7) inhibitors 詹森药业有限公司 2023-10-24 CN disclosed