SCHEMBL29088981

SCHEMBL29088981

CC(Nc1ccn2ncc([N+](=O)[O-])c2n1)c1cc(F)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.47
▸ NTRK3 Q16288 10/20 0.47
▸ NTRK2 Q16620 8/20 0.44
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL21510296 0.88 NTRK1 (0.49) NTRK1NTRK3NTRK2SCN9A
SCHEMBL29088903 0.88 NTRK1 (0.49) NTRK1NTRK3NTRK2SCN9A
SCHEMBL16947092 0.85 NTRK1 (0.46) NTRK1NTRK3NTRK2SCN9A
SCHEMBL29088921 0.84 NTRK1 (0.49) NTRK1NTRK3NTRK2
SCHEMBL28495529 0.81 NTRK1 (0.50) NTRK1NTRK3NTRK2
SCHEMBL23070830 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL23070828 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL29088918 0.78 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL29766708 0.77 NTRK1 (0.61) NTRK1NTRK3NTRK2
SCHEMBL20371088 0.77 NTRK1 (0.46) NTRK1NTRK3NTRK2

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-110156813-B Heterocyclic compounds as TRK inhibitors 北京诺诚健华医药科技有限公司 2023-07-25 — — CN disclosed
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