SCHEMBL31099044

SCHEMBL31099044

CC(C)(C)OC(=O)N1CCC2(CCc3cc(B(O)O)c(C(F)(F)F)nc3N2)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 13/20 0.39
▸ ACACB O00763 5/20 0.39
▸ CYP11B2 P19099 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
SCHEMBL31207242 0.89 MC4R (0.39) MC4RACACBCYP11B2
SCHEMBL31099078 0.89 MC4R (0.39) MC4RACACBCYP11B2
SCHEMBL24853345 0.87 MC4R (0.44) MC4RACACBCYP11B2
SCHEMBL30355161 0.87 MC4R (0.44) MC4RACACBCYP11B2
SCHEMBL31099106 0.85 MC4R (0.49) MC4RACACB
SCHEMBL31099070 0.85 MC4R (0.49) MC4RACACB
SCHEMBL31099055 0.85 MC4R (0.41) MC4RACACBCYP11B2
SCHEMBL31099077 0.85 MC4R (0.41) MC4RACACBCYP11B2
SCHEMBL31099033 0.82 RORC (0.39) MC4RACACBCYP11B2
SCHEMBL31099100 0.81 MC4R (0.41) MC4RACACBCYP11B2

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
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 — — WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 — — CN disclosed
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