SCHEMBL28274518

SCHEMBL28274518

O=C(O)NC(Cc1cnc[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.53
▸ CAPN1 P07384 1/20 0.49
▸ PTGS2 P35354 2/20 0.43
▸ MTOR P42345 3/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 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
SCHEMBL28046569 0.89 F10 (0.70) F10CAPN1PTGS2S1PR1
SCHEMBL28046567 0.89 F10 (0.58) F10CAPN1PTGS2MTOR
SCHEMBL28046628 0.89 F10 (0.58) F10CAPN1PTGS2MTOR
SCHEMBL28046568 0.89 F10 (0.70) F10CAPN1PTGS2S1PR1
SCHEMBL28046575 0.89 F10 (0.58) F10CAPN1MTOR
SCHEMBL28046577 0.89 F10 (0.58) F10CAPN1MTOR
SCHEMBL28046597 0.86 LTA4H (0.51) F10
SCHEMBL28046600 0.86 LTA4H (0.51) F10
SCHEMBL28046620 0.86 LTA4H (0.51) F10
SCHEMBL28046632 0.85 F10 (0.72) 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-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
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