SCHEMBL28354330

SCHEMBL28354330

NCCCCC(NC(=O)C(Cc1ccccc1)OC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.57
▸ PDF Q9HBH1 1/20 0.47
▸ LTA4H P09960 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ ECE1 P42892 1/20 0.40
▸ ITGB3 P05106 4/20 0.39
▸ ITGA2B P08514 4/20 0.39
▸ F2 P00734 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.38
▸ CALCRL Q16602 1/20 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
SCHEMBL28354328 1.00 SSTR3 (0.57) SSTR3PDFLTA4HHTR2AECE1
SCHEMBL18788630 0.89 SSTR3 (0.65) SSTR3PDFLTA4HHTR2AITGB3
SCHEMBL18788631 0.89 SSTR3 (0.65) SSTR3PDFLTA4HHTR2AITGB3
SCHEMBL16599524 0.83 HTR2A (0.52) SSTR3PDFLTA4HHTR2A
SCHEMBL1674876 0.80 SSTR3 (0.64) SSTR3PDFMMP3
SCHEMBL28688639 0.80 SSTR3 (0.50) SSTR3PDFHTR2AMMP3
SCHEMBL15810831 0.79 LTA4H (0.57) SSTR3PDFLTA4HHTR2ADPP8
SCHEMBL12476676 0.78 SSTR3 (0.49) SSTR3PDFLTA4HHTR2APRSS1
SCHEMBL20184616 0.77 PDF (0.53) SSTR3PDFHTR2ADPP8
SCHEMBL28354225 0.77 HTR2A (0.47) SSTR3PDFHTR2ADPP8

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-110678183-A Antibody conjugates comprising TOLL-like receptor agonists and combination therapies 诺华股份有限公司 2020-01-10 — — CN disclosed
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