SCHEMBL28695801

SCHEMBL28695801

CC1(Cc2cccnc2Cl)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
DTYMK P23919 1/20 0.44
NAMPT P43490 1/20 0.41
KDM1A O60341 1/20 0.40
ACHE P22303 2/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL25688674 0.86 POLB (0.47) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL28722028 0.81 POLB (0.41) POLBOPRD1OPRK1GPR119NAMPT
SCHEMBL29760898 0.80 GPR119 (0.47) POLBOPRD1OPRK1GPR119NAMPT
SCHEMBL23500638 0.80 GPR119 (0.47) POLBOPRD1OPRK1GPR119NAMPT
SCHEMBL28680198 0.80 GPR119 (0.41) POLBOPRD1OPRK1GPR119KDM1A
SCHEMBL21856239 0.79 POLB (0.69) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL22499445 0.77 POLB (0.57) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL21856177 0.77 POLB (0.57) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL29506059 0.77 POLB (0.57) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL18921641 0.76 GPR119 (0.53) OPRD1OPRK1GPR119NAMPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874363-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-11-12 CN disclosed
CN-114341124-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-09-20 CN disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 CN disclosed
CN-114008035-A SHP2 phosphatase allosteric inhibitor 北京盛诺基医药科技股份有限公司 2022-02-01 CN disclosed