SCHEMBL29197641

SCHEMBL29197641

CC(C)(C)OC(=O)CN1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RET P07949 3/20 0.39
ME2 P23368 3/20 0.38
ME1 P48163 3/20 0.38
ME3 Q16798 3/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRMT5 O14744 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL30112454 1.00 GPR119 (0.40) GPR119NTRK1ALDH1A1MAPTRET
SCHEMBL31382516 0.90 MAPT (0.41) GPR119ALDH1A1MAPT
SCHEMBL25199235 0.88 GPR119 (0.53) GPR119RETCKS1BSKP1SKP2
SCHEMBL30888790 0.88 GPR119 (0.53) GPR119RETCKS1BSKP1SKP2
SCHEMBL30888783 0.86 CKS1B (0.42) GPR119RETCKS1BSKP1SKP2
SCHEMBL24670866 0.86 CKS1B (0.42) GPR119RETCKS1BSKP1SKP2
SCHEMBL25074365 0.84 RET (0.40) GPR119ALDH1A1MAPTRETCKS1B
SCHEMBL29197698 0.82 AAK1 (0.43) GPR119RETCKS1BSKP1SKP2
SCHEMBL30112336 0.82 AAK1 (0.43) GPR119RETCKS1BSKP1SKP2
SCHEMBL25504062 0.82 CNR2 (0.44) NTRK1ALDH1A1ME2ME1ME3

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-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed