SCHEMBL599653

SCHEMBL599653

[CH2]NC(=O)[C@H](C)N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5003747 1.00
SCHEMBL9642477 1.00
SCHEMBL8698296 0.78
SCHEMBL2568460 0.78
SCHEMBL169096 0.75 SLC15A1 (0.58)
SCHEMBL294750 0.75
SCHEMBL2845616 0.73
SCHEMBL241185 0.73
SCHEMBL2132099 0.73
SCHEMBL2513090 0.73

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863757-B1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2003-03-26 EP claimed
EP-0863757-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-09-16 EP claimed
EP-0863757-A4 1998-09-16 EP claimed
US-5792778-A TREATMENT OF CYTOKINE MEDIATED DISEASES MERCK & CO., INC. (US) 1998-08-11 US claimed
WO-1997005877-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO claimed
EP-0015367-A2 Immobilized glucose isomerase, process for preparing it and process for preparing fructose from glucose TORAY INDUSTRIES, INC. (JP) 1980-09-17 EP claimed
US-9073868-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-8785386-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-22 US disclosed
US-8669229-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
EP-2374798-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
EP-2170831-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2012-02-15 EP disclosed
US-5792778-A TREATMENT OF CYTOKINE MEDIATED DISEASES MERCK & CO., INC. (US) 1998-08-11 US disclosed
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1997005877-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO disclosed
US-5023184-A Antitumor agents; fermentation culture product CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed
EP-0329606-A2 Antibiotics from myxocuccos CIBA-GEIGY AG (CH) 1989-08-23 EP disclosed
EP-0262085-A1 Antibiotics from myxococcus Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) 1988-03-30 EP disclosed