SCHEMBL11080978

SCHEMBL11080978

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.47
SCN5A Q14524 2/20 0.44
SCN2A Q99250 2/20 0.44
HRH4 Q9H3N8 3/20 0.41
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
NAAA Q02083 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL9865348 0.96 HRH2 (0.53) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL11080973 0.96 HRH2 (0.43) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL11080965 0.96 HRH2 (0.43) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL9866822 0.93 HRH2 (0.52) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL9867162 0.93 HRH2 (0.52) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL9866817 0.93 HRH2 (0.52) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL9867137 0.92 HRH2 (0.49) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL9865344 0.92 HRH2 (0.49) HRH2SCN5ASCN2AHRH4RAB9A
SCHEMBL9865905 0.91 NPC1 (0.46) HRH2SCN5ASCN2ARAB9ANPC1
SCHEMBL9866144 0.90 EPHX2 (0.43) HRH2SCN5ASCN2AHRH4

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