SCHEMBL29029916

SCHEMBL29029916

CC(C)(C)C1CN(c2ncc(C3(O[Si](C)(C)C)CC3)cn2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
GRM1 Q13255 2/20 0.34
GPR119 Q8TDV5 3/20 0.33
CHRM1 P11229 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 5/20 0.31
CHRM3 P20309 3/20 0.31
CHRM5 P08912 1/20 0.31
LIMK2 P53671 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
SLC6A9 P48067 2/20 0.30
CAMK1D Q8IU85 1/20 0.30

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
SCHEMBL22519008 0.78 CHRM1 (0.46) SLC6A7GRM1GPR119CHRM1CHRM2
SCHEMBL25264632 0.75 CHRM4 (0.48) SLC6A7CHRM1CHRM2CHRM4CHRM3
SCHEMBL24467723 0.74 GPR119 (0.53) GPR119CKS1BSKP1SKP2
SCHEMBL3548310 0.73 SLC6A7 (0.39) SLC6A7GPR119CHRM1CHRM2CHRM4
SCHEMBL25383375 0.71 SLC6A7 (0.45) SLC6A7CHRM4SLC6A9
SCHEMBL5444352 0.69 OPRM1 (0.43)
SCHEMBL6337270 0.68 SLC6A7 (0.43) SLC6A7GRM1CHRM1CHRM2CHRM4
SCHEMBL31713675 0.68 GPR119 (0.48) SLC6A7GPR119CHRM4SLC6A9
SCHEMBL1449587 0.68 GPR119 (0.50) SLC6A7GPR119CHRM4
SCHEMBL5222720 0.68 HDAC1 (0.48) SLC6A7CHRM4

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-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 CN disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 WO disclosed