SCHEMBL28891925

SCHEMBL28891925

O=CN1CCN(CCCC2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.48
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
GNAI3 P08754 5/20 0.37
GNAI1 P63096 5/20 0.37
NAMPT P43490 1/20 0.34
NPY1R P25929 1/20 0.34
CXCR4 P61073 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL28957069 0.95 GNAO1 (0.50) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL28891866 0.90 GNAO1 (0.43) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL28891924 0.83 ITGB3 (0.49) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL3955633 0.81 ALDH1A1 (0.39) HSD17B10DRD2DRD3HRH3
SCHEMBL9675410 0.80 GNAO1 (0.57) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL28891890 0.80 CACNA2D1 (0.46) GNAO1HSD17B10DRD2
SCHEMBL28891983 0.79 GNAO1 (0.44) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL5848080 0.79 GNAO1 (0.56) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL7128349 0.79 GNAO1 (0.56) GNAO1ITGB3ITGA2BTPSAB1TPSD1
SCHEMBL7122133 0.78 GNAO1 (0.54) GNAO1ITGB3ITGA2BTPSAB1TPSD1

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
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
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