SCHEMBL27140377

SCHEMBL27140377

O=C(O)N1CCN(CC2CCC3(CCNCC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.45
CACNA1B Q00975 3/20 0.45
CACNB1 Q02641 3/20 0.45
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
CACNA1C Q13936 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL27152792 0.88 ITGB3 (0.41) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL4475140 0.84 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL27120086 0.82 SMN1; SMN2 (0.55) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL27119181 0.81 TSHR (0.38) CACNA2D1CACNA1BCACNB1CYP2D6MEN1
SCHEMBL27123600 0.80 GPR119 (0.44) CACNA2D1CACNA1BCACNB1ALDH1A1HTT
SCHEMBL3825062 0.79 SMN1; SMN2 (0.44) CACNA2D1CACNA1BCACNB1MEN1ALDH1A1
SCHEMBL1738475 0.78 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL29578753 0.78 CHRM5 (0.53) CYP2D6MEN1ALDH1A1KMT2ACYP2C9
SCHEMBL30014461 0.78 SMN1; SMN2 (0.51) CACNA2D1CACNA1BCACNB1CYP2D6MEN1
Hydrochloric Acid SCHEMBL31677323 0.77 SMN1; SMN2 (0.50) CACNA2D1CACNA1BCACNB1CYP2D6MEN1

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
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223039-A1 SOS1 DEGRADER, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed