SCHEMBL11080973

SCHEMBL11080973

O=C(NC(=NCCCCc1c[nH]cn1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.43
SCN5A Q14524 7/20 0.42
SCN2A Q99250 7/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HRH4 Q9H3N8 5/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11080965 1.00 HRH2 (0.43) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9867137 0.96 HRH2 (0.49) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9865344 0.96 HRH2 (0.49) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL11080978 0.96 HRH2 (0.47) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9867162 0.93 HRH2 (0.52) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9866817 0.93 HRH2 (0.52) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9866822 0.93 HRH2 (0.52) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9865348 0.92 HRH2 (0.53) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9865894 0.91 SCN5A (0.45) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9865887 0.91 SCN5A (0.45) HRH2SCN5ASCN2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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