SCHEMBL29201746

SCHEMBL29201746

O=C1CCN(c2cc(C(=O)N3CCC(COCCC4CCN(C(=O)O)CC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.39
▸ TSHR P16473 1/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL27143092 0.94 MGLL (0.42) MGLLTSHRHSD11B1CCR3NPSR1
SCHEMBL27123888 0.92 MGLL (0.39) MGLLTSHRHSD11B1CCR3NPSR1
SCHEMBL31697885 0.92 MGLL (0.39) MGLLTSHRHSD11B1CCR3NPSR1
SCHEMBL31677239 0.91 DRD2 (0.45) —
SCHEMBL27146833 0.91 MGLL (0.38) MGLLTSHR
SCHEMBL30966215 0.91 MGLL (0.38) MGLLTSHRHSD11B1CCR3
SCHEMBL29281606 0.90 DDB1 (0.38) MGLL
SCHEMBL29201756 0.89 KMT2A (0.37) MGLLTSHRHSD11B1NPSR1
SCHEMBL29277059 0.89 HSD11B1 (0.39) MGLLTSHRHSD11B1CCR3NPSR1
SCHEMBL28891876 0.88 NR3C1 (0.38) MGLL

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
CN-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — 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
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