SCHEMBL30778341

SCHEMBL30778341

CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c(N)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
PDK4 Q16654 1/20 0.52
GRM1 Q13255 9/20 0.49
GRM5 P41594 8/20 0.49
CYP11B2 P19099 1/20 0.48
CDK7 P50613 1/20 0.48
CDK13 Q14004 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
NR1H2 P55055 1/20 0.47
QDPR P09417 2/20 0.47
TNK2 Q07912 1/20 0.47
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
BTK Q06187 1/20 0.47
BRD4 O60885 1/20 0.45

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
SCHEMBL15157008 1.00 NAMPT (0.56) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL31473896 0.91 NAMPT (0.54) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL25238113 0.90 NAMPT (0.53) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL15184378 0.90 NAMPT (0.53) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL15174997 0.89 NAMPT (0.53) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL31222913 0.89 NAMPT (0.53) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL2954440 0.89 QDPR (0.56) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL2908091 0.87 NAMPT (0.60) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL29227506 0.87 NAMPT (0.60) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL19940290 0.87 NAMPT (0.53) NAMPTPDK4GRM1GRM5CYP11B2

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-117460732-A Pyrrolopyridone compounds, preparation method and application thereof 杭州中美华东制药有限公司 2024-01-26 CN disclosed