SCHEMBL30014759

SCHEMBL30014759

O=C1CCN(c2cc(C(=O)N3CCC(COCCC4CCN(C(=O)O)CC4)CC3)ccc2OC(F)(F)F)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.38
▸ HSD11B1 P28845 3/20 0.36
▸ MAPK7 Q13164 1/20 0.34
▸ SOS1 Q07889 2/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL27141895 1.00 MGLL (0.38) MGLLHSD11B1MAPK7SOS1SLC6A4
SCHEMBL27148092 0.93 MGLL (0.38) MGLLHSD11B1MAPK7SOS1SLC6A4
SCHEMBL30014591 0.93 MGLL (0.38) MGLLHSD11B1MAPK7SOS1SLC6A4
SCHEMBL28891876 0.91 NR3C1 (0.38) MGLLSOS1SLC6A4
SCHEMBL27137196 0.90 GPR119 (0.39) —
SCHEMBL31024363 0.90 GPR119 (0.39) —
SCHEMBL27137184 0.89 HSD11B1 (0.35) MGLLHSD11B1PDE4B
SCHEMBL29281606 0.87 DDB1 (0.38) MGLL
SCHEMBL29201746 0.87 MGLL (0.39) MGLLHSD11B1
SCHEMBL27137025 0.84 RBP4 (0.38) MGLLHSD11B1SOS1SLC6A4

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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