SCHEMBL29201747

SCHEMBL29201747

CC(C)(C)OC(=O)N1CCN(CCCC2CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
GNAO1 P09471 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
FAAH O00519 1/20 0.43
NR1H2 P55055 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL20075951 0.93 ALDH1A1 (0.44) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL27035708 0.89 GPR119 (0.49) GPR119FAAHHPGD
SCHEMBL1532854 0.87 ITGB3 (0.55) TPSAB1TPSD1TPSG1GNAO1GPR119
SCHEMBL27121409 0.87 DDB1 (0.41) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL27120931 0.87 GPR119 (0.49) GPR119FAAHHPGD
SCHEMBL2386299 0.86 CACNA2D1 (0.47) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL27124732 0.85 EPHX2 (0.43) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL15000860 0.84 GNAI3 (0.51) GNAO1GPR119FAAHNR1H2ITGB3
SCHEMBL27307597 0.84 CACNA2D1 (0.45) TPSAB1TPSD1TPSG1CHRM2CHRM1
Hydrochloric Acid SCHEMBL1532657 0.83 GNAI3 (0.53) GNAO1GPR119FAAHNR1H2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed