SCHEMBL22688784

SCHEMBL22688784

CCOC(=O)c1cnn2ccc(NC(C)c3cc(F)cc4c3O[C@](C)(CNC(=O)OC(C)(C)C)C4)nc12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.38
▸ NTRK3 Q16288 9/20 0.38
▸ NTRK2 Q16620 8/20 0.38

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
SCHEMBL22688782 1.00 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL22688844 1.00 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL22695121 1.00 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL29422699 1.00 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL22688845 1.00 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL29422764 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL29422547 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL22695326 0.94 NTRK1 (0.38) NTRK1NTRK3NTRK2
SCHEMBL22688842 0.93 NTRK1 (0.40) NTRK1NTRK3NTRK2
SCHEMBL22688694 0.93 NTRK1 (0.40) 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
WO-2020233645-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF 浙江海正药业股份有限公司 (CN) 2020-11-26 — — WO disclosed
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