SCHEMBL445535

SCHEMBL445535

CCN(CC)CCC=O

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
SCHEMBL1284275 0.97 ALDH1A1 (0.43)
SCHEMBL1283318 0.97 ALDH1A1 (0.43)
SCHEMBL10017660 0.94 ALDH1A1 (0.45)
SCHEMBL5167080 0.87 ALDH1A1 (0.46)
SCHEMBL4728852 0.83 TSHR (0.50)
SCHEMBL23226889 0.83 CYP1A2 (0.45)
SCHEMBL29950905 0.83 TSHR (0.50)
SCHEMBL23775553 0.83 ALDH1A1 (0.36)
SCHEMBL7678665 0.81 TSHR (0.50)
SCHEMBL29956786 0.81 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP claimed
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP claimed
CN-101928226-B N-(2-ethoxy) feriilamidoethyl nitrate compound and preparation method thereof XU JINGFENG 2013-08-21 CN claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO claimed
CN-101928226-A N-(2-ethoxy) feriilamidoethyl nitrate compound and preparation method thereof JINGFENG XU 2010-12-29 CN claimed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
EP-1678164-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO claimed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0333174-B1 Peptide compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-08 EP claimed
US-5476846-A Administering anti-thrombotic and anti-asthmatic agent LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-12-19 US claimed
US-5387709-A Bronchodilator agents, anticoagulants, vasodilation LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-02-07 US claimed
US-5187156-A D-Tryptophan- and Phenylalanine-containing tripeptides as tachykinin antagonists; asthma FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-16 US claimed
EP-0333174-A2 Peptide compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-20 EP claimed
US-4616069-A REACTING THE ALKALI METAL OR ALKALINE EARTH METAL TERMINATED POLYMER WITH TIN COMPOUND AND ORGANIC COMPOUND HAVING AMIDE OR THIOAMIDE LINKAGES NIPPON ZEON CO., LTD. (JP) 1986-10-07 US claimed
US-4614771-A POLYMERIZATION WITH AROMATIC VINYL MONOMER AND ALKALINE(OR ALKALINE EARTH) METAL, THEN MINO(OR AMINOTHIO)ALDEHYDES OR KETONES NIPPON ZEON CO., LTD. (JP) 1986-09-30 US claimed