SCHEMBL28952289

SCHEMBL28952289

COC(CNC(=O)Nc1c2c(nn1-c1cc(C)c(F)c(C)c1)CCN(C(=O)OC(C)(C)C)C2C)OC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.34
▸ THRB P10828 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLP1R P43220 1/20 0.31
▸ 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
SCHEMBL20014817 1.00 NTRK1 (0.34) NTRK1THRBALDH1A1GLP1RC5AR1
SCHEMBL31692362 0.95 NTRK1 (0.35) NTRK1THRBALDH1A1
SCHEMBL38651834 0.95 NTRK1 (0.34) NTRK1
SCHEMBL30944794 0.93 NTRK1 (0.31) NTRK1
SCHEMBL20015354 0.92 NTRK1 (0.34) NTRK1ALDH1A1C5AR1
SCHEMBL21183669 0.92 NTRK1 (0.36) NTRK1THRBALDH1A1
SCHEMBL31424290 0.90 NTRK1 (0.31) NTRK1
SCHEMBL31424422 0.90 NTRK1 (0.31) NTRK1
SCHEMBL25267995 0.90 ALDH1A1 (0.35) NTRK1ALDH1A1GLP1R
SCHEMBL21175197 0.90 ALDH1A1 (0.35) NTRK1ALDH1A1GLP1R

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-115698003-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-02-03 — — CN disclosed
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