SCHEMBL30013612

SCHEMBL30013612

O=C(O)N1CCC(COCCC2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.48
ITGA2B P08514 14/20 0.48
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
F2R P25116 7/20 0.41
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 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
SCHEMBL27153790 1.00 ITGB3 (0.48) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL27150060 0.89 ITGB3 (0.47) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL4470355 0.84 ITGB3 (0.58) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL27120520 0.82 ALDH1A1 (0.45) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL27121292 0.82 GPR119 (0.45) GNAI3GNAO1GNAI1
SCHEMBL27153788 0.82 GPR119 (0.45) GNAI3GNAO1GNAI1
SCHEMBL30015039 0.82 ITGB3 (0.45) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL30014967 0.81 CACNA2D1 (0.39) ITGB3ITGA2BGNAO1F2RTPSAB1
SCHEMBL30014708 0.81 ITGB3 (0.68) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL7452238 0.81 ITGB3 (0.63) ITGB3ITGA2BGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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