SCHEMBL30014221

SCHEMBL30014221

O=C1CCN(c2cc(C(=O)N3CCC(CCCC4CCNCC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR1A P08908 1/20 0.37

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
SCHEMBL27125679 1.00 ITGB3 (0.38) ITGB3ITGA2BHSD11B1MGLLTPSAB1
SCHEMBL31255494 0.92 TPSAB1 (0.42) HSD11B1MGLLTPSAB1TPSD1TPSG1
SCHEMBL29277059 0.91 HSD11B1 (0.39) HSD11B1MGLLCCR3TSHRNPSR1
SCHEMBL31677169 0.91 HRH3 (0.38) HSD11B1MGLLCCR3
SCHEMBL27137557 0.90 LSS (0.35) ITGB3ITGA2BHSD11B1MGLLTPSAB1
SCHEMBL27141276 0.90 HTT (0.37) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL27124624 0.90 MGLL (0.41) HSD11B1MGLLTPSAB1TPSD1TPSG1
SCHEMBL31697885 0.89 MGLL (0.39) HSD11B1MGLLTPSAB1TPSD1TPSG1
SCHEMBL27123888 0.89 MGLL (0.39) HSD11B1MGLLTPSAB1TPSD1TPSG1
SCHEMBL31677216 0.89 HTT (0.39) ITGB3ITGA2BHSD11B1MGLLTPSAB1

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
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