SCHEMBL4008535

SCHEMBL4008535

C[C@H](N)Cc1c[nH]cn1

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
SCHEMBL396350 1.00
Bromide SCHEMBL1397996 0.98 HRH4 (0.40)
Bromide SCHEMBL4608777 0.98 HRH4 (0.40)
Hydrochloric Acid SCHEMBL630213 0.98 HRH4 (0.43)
Hydrochloric Acid SCHEMBL4609656 0.98 HRH4 (0.43)
Hydrochloric Acid SCHEMBL9700185 0.98 HRH4 (0.43)
Hydrochloric Acid SCHEMBL7111958 0.98 HRH4 (0.43)
SCHEMBL14900011 0.84 DPP4 (0.35)
SCHEMBL19187383 0.84 DPP4 (0.35)
Choline SCHEMBL27844516 0.84 MEN1 (0.34)

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-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8512675-B2 N and/or Nα derivatized, metal and organic protected L-histidine for coupling to biomolecules for highly efficient labeling with [M(OH2)3 (CO)3]+ by fac coordination MALLINCKRODT LLC (US) 2013-08-20 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
WO-2009112524-A1 PYRIDOPYRIMIDINES AS PLK1 ( POLO-LIKE KINASE) INHIBITORS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed
US-7547523-B2 Histamine receptor SCHERING CORPORATION (US) 2009-06-16 US disclosed
US-20070117155-A1 HISTAMINE RECEPTOR SCHERING CORPORATION 2007-05-24 US disclosed
US-20070077195-A1 \"N and/or nalpha derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3 (co)3]+ by fac coordination\ UNIVERSITY OF ZURICH (CH) 2007-04-05 US disclosed
US-7166705-B2 Histamine receptor antibody SCHERING CORPORATION (US) 2007-01-23 US disclosed
US-20050090527-A1 Combination of H1, H3 and H4 receptor antagonists for treatment of allergic and non-allergic pulmonary inflammation, congestion and allergic rhinitis SCHERING CORPORATION 2005-04-28 US disclosed
US-20050074768-A1 Histamine receptor MERCK SHARP & DOHME CORP. 2005-04-07 US disclosed
WO-2004066960-A2 COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS SCHERING CORPORATION (US) 2004-08-12 WO disclosed
US-6613533-B2 Polypeptide; for use in the treatment of inflammation, asthma, allergy, dermatitis, stroke, myocardial infection, migraine, arthritis, multiple sclerosis, inflammatory bowel disease and psoriasis SCHERING CORPORATION 2003-09-02 US disclosed
US-20020098539-A1 Histamine receptor BEHAN JIANG X (US) 2002-07-25 US disclosed
US-6204017-B1 AMINO ACID SEQUENCE; RECOMBINANT PRODUCTION; DRUG SCREENING FOR ANTAGONISTS AND AGONISTS; TREATMENT OF ASTHMA, ALLERGIES, CHRONIC OBSTRUCTIVE PULMONARY DISEASE; ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS; ANTIBODIES; PROBES; PRIMERS SCHERING CORPORATION 2001-03-20 US disclosed
US-5162541-A Using palladium containing catalysts and a hydrogen donor SCHERING CORPORATION (US) 1992-11-10 US disclosed