SCHEMBL11036952

SCHEMBL11036952

N=C(NCCCCc1c[nH]cn1)NCCCc1c[nH]cn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
Hydrochloric Acid SCHEMBL11040900 0.98
SCHEMBL9866251 0.89 SIGMAR1 (0.42) HRH4
SCHEMBL9867117 0.86 L3MBTL1 (0.43)
SCHEMBL10873790 0.84 PTAFR (0.45) HRH4HRH3
SCHEMBL11528586 0.84 HRH4 (0.36) HRH2HRH4HRH3
SCHEMBL11110534 0.82 HRH4 (0.44) HRH2HRH4HRH3
SCHEMBL11109555 0.82 HRH3 (0.31) HRH3
SCHEMBL11158305 0.82 HRH2 (0.30) HRH2HRH4HRH3
SCHEMBL11645896 0.82
SCHEMBL7971153 0.81 HRH4 (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041359-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLYLALKYL GUANIDINES; INTERMEDIATES AND THEIR PREPARATION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-11-14 EP disclosed
US-4443375-A Tetrahydroimidazo(3,4-c)-1,3-diazocine intermediates for production of guanidines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-04-17 US disclosed
US-4375435-A 3-,4-Dihydroimidazo (3,4-c)-1,3-pyrimidines and 4,5-dihydroimidazo (3,4-c)-1,3-diazepines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-03-01 US disclosed
EP-0041359-A1 Process for the preparation of heterocyclylalkyl guanidines; intermediates and their preparation SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-09 EP disclosed