SCHEMBL28868776

SCHEMBL28868776

O=CN1CCC(COCCC2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
GNAO1 P09471 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TPSAB1 Q15661 2/20 0.32
TPSD1 Q9BZJ3 2/20 0.32
TPSG1 Q9NRR2 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
F2R P25116 1/20 0.30

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
SCHEMBL28868783 1.00 ITGB3 (0.35) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL28891983 0.85 GNAO1 (0.44) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL27119127 0.83 TDP1 (0.38) ITGB3ITGA2BGNAO1SLC6A2SLC6A4
SCHEMBL28891924 0.82 ITGB3 (0.49) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL30015135 0.81 ITGB3 (0.32) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL31522161 0.80 KDM4E (0.38) GNAO1DRD2HTR2AHTR2CHTR2B
SCHEMBL30013612 0.79 ITGB3 (0.48) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL27153790 0.79 ITGB3 (0.48) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL29892104 0.76 TPSAB1 (0.38) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL28696587 0.75 SIGMAR1 (0.36) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232108-B SOS1 degradation agent and preparation method and application thereof 领泰生物医药(绍兴)有限公司 2025-04-18 CN disclosed
CN-115232114-B SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2023-12-19 CN disclosed
CN-115232114-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed
CN-115232111-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed
CN-115232108-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed