SCHEMBL29138624

SCHEMBL29138624

CC(C)(C)OC(=O)N1CC2CC(c3ncc(Cl)cn3)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
HSD11B1 P28845 3/20 0.46
JAK1 P23458 2/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
USP30 Q70CQ3 2/20 0.41
GPR119 Q8TDV5 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.39
PDE10A Q9Y233 2/20 0.38

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
SCHEMBL3001224 0.89 HSD11B1 (0.47) NR1H2HSD11B1GPR119MEN1KMT2A
SCHEMBL29138582 0.82 HSD11B1 (0.61) HSD11B1USP30GPR119MEN1KMT2A
SCHEMBL31736852 0.82 GPR119 (0.57) HSD11B1GPR119MEN1KMT2AUSP2
SCHEMBL29138599 0.79 OXTR (0.48) NR1H2HSD11B1GPR119MEN1KMT2A
SCHEMBL29228600 0.78 NR1H2 (0.51) NR1H2HSD11B1JAK1KCNK3KCNK9
SCHEMBL2995952 0.77 GPR119 (0.47) NR1H2HSD11B1GPR119HPGDKDM4E
SCHEMBL30639344 0.77 GPR119 (0.46) GPR119MEN1KMT2AUSP2HPGD
SCHEMBL30639343 0.77 GPR119 (0.46) GPR119MEN1KMT2AUSP2HPGD
SCHEMBL25296230 0.76 GPR119 (0.43) NR1H2USP30GPR119HPGDKDM4E
SCHEMBL22412769 0.76 GPR119 (0.43) NR1H2HSD11B1GPR119HPGDPOLB

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-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed