SCHEMBL31424422

SCHEMBL31424422

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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 0.90 NTRK1 (0.34) NTRK1
SCHEMBL20015354 0.90 NTRK1 (0.34) NTRK1
SCHEMBL28952289 0.90 NTRK1 (0.34) NTRK1
SCHEMBL38651834 0.87 NTRK1 (0.34) NTRK1
SCHEMBL21183669 0.87 NTRK1 (0.36) NTRK1NR1H2NR1H3
SCHEMBL31692362 0.86 NTRK1 (0.35) NTRK1
SCHEMBL30944794 0.84 NTRK1 (0.31) NTRK1
SCHEMBL31424290 0.83 NTRK1 (0.31) NTRK1
SCHEMBL25025177 0.81 NTRK1 (0.36) NTRK1NR1H2NR1H3
SCHEMBL21175197 0.80 ALDH1A1 (0.35) NTRK1

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
Send feedback