SCHEMBL11036080

SCHEMBL11036080

S=C(NCCCCc1cnc[nH]1)NCCCCc1cnc[nH]1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.86
HRH2 P25021 8/20 0.83
HRH3 Q9Y5N1 1/20 0.83

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
Burimamide SCHEMBL26626246 0.91 HRH2 (1.00) HRH4HRH2HRH3
SCHEMBL8964986 0.80 HRH3 (0.79) HRH4HRH2HRH3
SCHEMBL8963957 0.78 HRH3 (0.80) HRH4HRH2HRH3
SCHEMBL5512404 0.75 QPCT (0.58) HRH4HRH2HRH3
SCHEMBL8963886 0.75 HRH3 (0.75) HRH4HRH2HRH3
SCHEMBL4687435 0.74 HRH3 (0.66) HRH4HRH2HRH3
SCHEMBL11359146 0.73 HRH2 (0.71) HRH4HRH2HRH3
SCHEMBL1515167 0.72
SCHEMBL12216019 0.72 HRH3 (0.79) HRH4HRH2HRH3
SCHEMBL2005145 0.71 HRH3 (0.61) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499101-A HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-12 US disclosed
US-4388319-A ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US disclosed
US-4271169-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-02 US disclosed
US-4215125-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
US-4152443-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-01 US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US disclosed
US-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 US disclosed