SCHEMBL28046568

SCHEMBL28046568

O=C(Nc1ccc(Cl)cc1)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.70
▸ S1PR1 P21453 1/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ CAPN1 P07384 1/20 0.43

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
SCHEMBL28046569 1.00 F10 (0.70) F10S1PR1PTGS2CAPN1
SCHEMBL28046575 0.92 F10 (0.58) F10CAPN1
SCHEMBL28046628 0.92 F10 (0.58) F10PTGS2CAPN1
SCHEMBL28046567 0.92 F10 (0.58) F10PTGS2CAPN1
SCHEMBL28046577 0.92 F10 (0.58) F10CAPN1
SCHEMBL28274518 0.89 F10 (0.53) F10S1PR1PTGS2CAPN1
SCHEMBL28046632 0.85 F10 (0.72) F10
SCHEMBL6373394 0.83 F10 (0.77) F10PTGS2
SCHEMBL6373383 0.83 F10 (0.77) F10PTGS2
SCHEMBL28046597 0.83 LTA4H (0.51) F10

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-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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