SCHEMBL28046586

SCHEMBL28046586

N[C@H](Cc1cc2ccccc2[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.49
▸ F10 P00742 15/20 0.47
▸ BMX P51813 1/20 0.41

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
SCHEMBL28046589 1.00 PTGS2 (0.49) PTGS2F10BMX
SCHEMBL28046594 0.84 F10 (0.55) PTGS2F10
SCHEMBL28046593 0.84 F10 (0.55) PTGS2F10
SCHEMBL28046588 0.83 F10 (0.67) PTGS2F10
SCHEMBL28046621 0.83 PTGS2 (0.45) PTGS2F10
SCHEMBL28046584 0.82 F10 (0.69) F10
SCHEMBL5625339 0.80 F10 (0.58) PTGS2F10
SCHEMBL5624973 0.80 F10 (0.58) PTGS2F10
SCHEMBL28046574 0.79 F10 (0.52) PTGS2F10
SCHEMBL28046579 0.79 F10 (0.52) PTGS2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294669-B A kind of factor X inhibitor and its preparation method and application 山东凯森制药有限公司 2019-01-22 — — CN disclosed
CN-105294669-A Tenth factor inhibitor and preparation method and application thereof SHANDONG KAISEN PHARMA CO LTD 2016-02-03 — — CN disclosed
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