SCHEMBL9867322

SCHEMBL9867322

Cc1cc(Br)cnc1CCCCN

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
HRH4 Q9H3N8 4/20 0.36
HRH1 P35367 12/20 0.35
HRH2 P25021 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
CXCR4 P61073 1/20 0.34

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
SCHEMBL10364955 0.95 S1PR1 (0.36) HRH3HRH4HRH1HRH2S1PR1
SCHEMBL7426895 0.81 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL10377543 0.81 HTT (0.38) HRH3HRH4HRH1HRH2
SCHEMBL10852155 0.81 HRH3 (0.37) HRH3HRH4HRH1HRH2CXCR4
SCHEMBL16809676 0.80 S1PR1 (0.39) HRH4HRH1S1PR1S1PR3
SCHEMBL10853546 0.79 HRH3 (0.36) HRH3HRH4HRH1HRH2CXCR4
SCHEMBL10852507 0.79 HRH3 (0.36) HRH3HRH4HRH1HRH2CXCR4
SCHEMBL10851407 0.79 AGBL2 (0.50) HRH3HRH4HRH1HRH2CXCR4
SCHEMBL10377450 0.79 HRH2 (0.39) HRH3HRH4HRH2S1PR1S1PR3
SCHEMBL18489099 0.78 S1PR1 (0.35) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4584381-A HISTAMINE H1-ANTAGONIST SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-04-22 US claimed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0244201-B1 3-HYDROXYPYRIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-26 EP disclosed
EP-0112142-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-06-20 EP disclosed
US-4863936-A 3,5-Substituted-2-pyridyl-alkylaminocyclobutenediones having histamine h1 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-09-05 US disclosed
US-4863933-A HISTAMINE H1 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-09-05 US disclosed
US-4764519-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-08-16 US disclosed
US-4743692-A N-(pyridinylalkyl)-thieno-or benzo-isothiazol-3-amine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-10 US disclosed
EP-0093490-B1 PROCESS FOR PREPARING 3,5-DISUBSTITUTED 2-PYRIDYLALKYL AMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-04-27 EP disclosed
EP-0244201-A2 3-Hydroxypyridines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-04 EP disclosed
US-4537891-A 2-(3,5-Substituted-2-pyridylalkylamino)-5-benzyl-4-pyrimidones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-27 US disclosed
US-4537890-A 2-(3,5-Substituted-2-pyridylalkylamino)-5-oxopyridylmethyl-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-27 US disclosed
US-4532252-A 3,5-Substituted-2-pyridylalkylamino compounds having histamine H1 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-30 US disclosed
US-4515952-A Synthesis of 2-pyridylalkylamines substituted on the pyridyl ring by bromine SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-05-07 US disclosed
US-4486434-A PYRIDYLALKYLAMINO PYRIDYLMETHYL PYRIMIDONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-12-04 US disclosed
EP-0115132-A1 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-08-08 EP disclosed
EP-0112142-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-06-27 EP disclosed
EP-0107914-A1 Aminopyrimidinone derivatives useful as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-05-09 EP disclosed
EP-0093490-A2 Process for preparing 3,5-disubstituted 2-pyridylalkyl amines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-09 EP disclosed
EP-0068833-A2 Pyrimidinone derivatives and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-01-05 EP disclosed