SCHEMBL30639338

SCHEMBL30639338

C[C@@H]1CC(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.44
HSD11B1 P28845 3/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
GRM5 P41594 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL29138621 1.00 GPR119 (0.44) GPR119HSD11B1MEN1KMT2ANPSR1
SCHEMBL29138587 0.85 GPR119 (0.42) GPR119MEN1KMT2AMAPTALDH1A1
SCHEMBL29138623 0.82 HSD11B1 (0.44) HSD11B1
SCHEMBL31736852 0.81 GPR119 (0.57) GPR119HSD11B1MEN1KMT2ANPSR1
SCHEMBL2158777 0.81 MEN1 (0.43) GPR119MEN1KMT2ANPSR1USP2
SCHEMBL29138582 0.79 HSD11B1 (0.61) GPR119HSD11B1MEN1KMT2ANPSR1
SCHEMBL31728306 0.77 GPR119 (0.37) GPR119MEN1KMT2ANPSR1USP2
SCHEMBL3001224 0.76 HSD11B1 (0.47) GPR119HSD11B1MEN1KMT2ANPSR1
SCHEMBL23868538 0.76 ROCK2 (0.50) GPR119HSD11B1LMNA
SCHEMBL25124203 0.75 GPR119 (0.41) GPR119MEN1KMT2AHSD17B10MAPT

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
WO-2023241683-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ACTING AS PDE4B INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-21 WO disclosed
WO-2023241684-A1 PDE4B INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-21 WO disclosed
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
CN-117247394-A Nitrogen-containing heterocycles as PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed