SCHEMBL31243145

SCHEMBL31243145

COC(=O)c1cnc(OC)c(-c2cc(F)cc(F)c2)c1N1CC[C@](C)(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.37
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ RAF1 P04049 1/20 0.31

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
SCHEMBL29653559 1.00 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA
SCHEMBL29720113 0.93 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA
SCHEMBL22976532 0.93 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA
SCHEMBL22976535 0.93 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA
SCHEMBL29653513 0.86 CNR2 (0.34) RETJAK2NTRK1
SCHEMBL31243175 0.84 RET (0.35) RET
SCHEMBL29653445 0.84 RET (0.35) RET
SCHEMBL22976755 0.83 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA
SCHEMBL22976758 0.83 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA
SCHEMBL29720051 0.83 RET (0.37) RETHDAC1HDAC2PIK3R1PIK3CA

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
CN-119504705-A Non-peptide somatostatin 5 receptor agonists and uses thereof 克林提克斯医药股份有限公司 2025-02-25 — — CN disclosed
CN-114585614-B Non-peptide somatostatin 5 receptor agonists and uses thereof 克林提克斯医药股份有限公司 2024-12-03 — — CN disclosed
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