SCHEMBL31424283

SCHEMBL31424283

COC(=C=O)C(=O)Nc1c2c(nn1-c1cc(C)c(F)c(C)c1)CCN(C(=O)OC(C)(C)C)[C@H]2C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ C5AR1 P21730 1/20 0.30

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
SCHEMBL31424290 0.86 NTRK1 (0.31) —
SCHEMBL31011044 0.85 THRB (0.34) THRBLMNANPSR1C5AR1
SCHEMBL31011031 0.85 THRB (0.34) THRBLMNANPSR1C5AR1
SCHEMBL31472049 0.83 C5AR1 (0.33) THRBLMNANPSR1C5AR1
SCHEMBL28952289 0.82 NTRK1 (0.34) THRBC5AR1
SCHEMBL20014817 0.82 NTRK1 (0.34) THRBC5AR1
SCHEMBL31692219 0.81 THRB (0.34) THRBLMNANPSR1C5AR1
SCHEMBL21183622 0.80 THRB (0.31) THRB
SCHEMBL20014821 0.80 NR1H2 (0.33) THRBLMNANPSR1C5AR1
SCHEMBL31424405 0.80 THRB (0.33) THRBLMNANPSR1C5AR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431365-A Phenyl heterocyclic derivative-containing regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2025-02-14 — — CN disclosed
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