SCHEMBL9013073

SCHEMBL9013073

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.49
▸ GHSR Q92847 1/20 0.42
▸ FKBP4 Q02790 1/20 0.42
▸ HDAC3 O15379 5/20 0.41
▸ HDAC11 Q96DB2 5/20 0.41
▸ HDAC6 Q9UBN7 5/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ CTSC P53634 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ REN P00797 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL7047405 1.00 SSTR3 (0.49) SSTR3GHSRFKBP4HDAC3HDAC11
Hydrochloric Acid SCHEMBL3277643 0.99 SSTR3 (0.48) SSTR3GHSRFKBP4HDAC3HDAC11
Edetic Acid SCHEMBL8001970 0.94 SSTR3 (0.44) SSTR3GHSRFKBP4HDAC3HDAC11
SCHEMBL5673516 0.92 HDAC3 (0.42) SSTR3HDAC3HDAC11HDAC6HDAC1
Hydrochloric Acid SCHEMBL10380405 0.91 HDAC3 (0.42) SSTR3HDAC3HDAC11HDAC6HDAC1
Hydrochloric Acid SCHEMBL9543019 0.91 HDAC3 (0.42) SSTR3HDAC3HDAC11HDAC6HDAC1
4-Nitroaniline SCHEMBL27616115 0.89 MAPK8 (0.43) SSTR3GHSRCTSCMAPK8MAPK9
Hydrochloric Acid SCHEMBL29422207 0.87 SSTR3 (0.49) SSTR3GHSR
SCHEMBL1723853 0.87 CTSC (0.53) SSTR3FKBP4CTSCUSP30MEN1
SCHEMBL8478585 0.87 FURIN (0.46) GHSRHDAC3HDAC11HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132573-A1 MODIFIED SERPINS FOR THE TREATMENT OF BRADYKININ-MEDIATED DISEASE PRECLINICS GESELLSCHAFT FÜR PRÄKLINISCHE FORSCHUNG MBH (DE) 2024-04-25 — — US disclosed
US-11851474-B2 Modified serpins for the treatment of bradykinin-mediated disease PRECLINICS GESELLSCHAFT FÜR PRÄKLINISCHE FORSCHUNG MBH (DE) 2023-12-26 — — US disclosed
EP-3585808-B1 MODIFIED SERPINS FOR THE TREATMENT OF BRADYKININ-MEDIATED DISEASE PRECLINICS GES FUER PRAEKLINISCHE FORSCHUNG MBH (DE) 2021-11-10 — — EP disclosed
WO-2018154044-A1 MODIFIED SERPINS FOR THE TREATMENT OF BRADYKININ-MEDIATED DISEASE UMC UTRECHT HOLDING B.V. (NL) 2018-08-30 — — WO disclosed
EP-2697652-B1 DIAGNOSIS AND TREATMENT OF ANGIOEDEMA UNIV GRENOBLE 1 (FR) 2016-09-14 — — EP disclosed
US-20140051099-A1 DIAGNOSIS AND TREATMENT OF ANGIOEDEMA CENTRE HOSPITALIER UNIVERSITAIRE DE GRENOBLE (FR) 2014-02-20 — — US disclosed
EP-2697652-A1 DIAGNOSIS AND TREATMENT OF ANGIOEDEMA Universite Joseph Fourier (Grenoble 1) (FR) 2014-02-19 — — EP disclosed
WO-2012140372-A1 DIAGNOSIS AND TREATMENT OF ANGIOEDEMA UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2012-10-18 — — WO disclosed
US-5500349-A Blood-coagulation factor XIIA β monoclonal antibody and immunoassay COAGEN LIMITED (GB) 1996-03-19 — — US disclosed
EP-0455707-B1 BLOOD-COAGULATION FACTOR BETAXIIa MONOCLONAL ANTIBODY AND IMMUNOASSAY COAGEN LTD (GB) 1995-04-26 — — EP disclosed
US-5118793-A Substitution of arginine at position 44 for leucine; antithrombin WASHINGTON UNIVERSITY (US) 1992-06-02 — — US disclosed
US-5102995-A Anticoagulant WASHINGTON UNIVERSITY (US) 1992-04-07 — — US disclosed
EP-0455707-A1 BLOOD-COAGULATION FACTOR XIIa -g(b) MONOCLONAL ANTIBODY AND IMMUNOASSAY. COAGEN LTD (GB) 1991-11-13 — — EP disclosed
WO-1990008835-A1 BLOOD-COAGULATION FACTOR XIIa β MONOCLONAL ANTIBODY AND IMMUNOASSAY COAGEN LIMITED (GB) 1990-08-09 — — WO disclosed
EP-0259857-A2 Method of assaying physiologically active substances NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1988-03-16 — — EP disclosed
US-4610879-A Fibrinolytic enzyme from snake vernom UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1986-09-09 — — US disclosed
US-4308202-A Prolylphenylalanylarginine derivatives, process for producing same and method for measuring activity of enzymes using same TORII & CO., LTD. (JP) 1981-12-29 — — US disclosed
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