SCHEMBL8405097

SCHEMBL8405097

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.70
▸ PDF Q9HBH1 1/20 0.57
▸ PSMB5 P28074 2/20 0.48
▸ CALCRL Q16602 1/20 0.47
▸ PSMB1 P20618 1/20 0.46
▸ F2RL1 P55085 1/20 0.46
▸ F2 P00734 2/20 0.45
▸ PLG P00747 2/20 0.45
▸ MMP1 P03956 1/20 0.43
▸ FCER2 P06734 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL10439499 0.92 SSTR3 (0.71) SSTR3PDFPSMB5CALCRLMMP1
SCHEMBL8365389 0.92 SSTR3 (0.71) SSTR3PDFPSMB5CALCRLMMP1
SCHEMBL30541925 0.88 SSTR3 (0.56) SSTR3PDFPSMB5PSMB1F2RL1
SCHEMBL29937990 0.83 SSTR3 (1.00) SSTR3PDFCALCRL
SCHEMBL8000347 0.82 PDF (0.67) SSTR3PDFPLG
SCHEMBL30037909 0.82 PDF (0.61) SSTR3PDFPSMB5PSMB1F2RL1
SCHEMBL30816049 0.82 PSMB5 (0.54) SSTR3PSMB5PSMB1F2RL1MMP1
SCHEMBL29429777 0.82 GHSR (0.56) F2PLGOPRM1OPRK1GHSR
SCHEMBL29740041 0.81 SSTR3 (0.59) SSTR3PSMB5PSMB1MMP1FCER2
SCHEMBL29512267 0.81 SSTR3 (0.57) SSTR3PDFF2RL1MMP1FCER2

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
US-5968782-A NUCLEIC ACID SEQUENCE CODING POLYPEPTIDE ENZYME WITH ENTEROKINASE SENSITIVITY WHICH CAN BE USED FOR TREATING DISORDERS MEDIATED BY THROMBUS CLOT FORMATION BRIGHAM AND WOMENS'S HOSPITAL, INC. (US) 1999-10-19 — — US disclosed
WO-1998024886-A1 MAST CELL PROTEASE THAT CLEAVES FIBRINOGEN BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1998-06-11 — — WO disclosed
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