SCHEMBL7433583

SCHEMBL7433583

O=C(NC(=NCCCc1c[nH]cn1)NCCSCc1cccnc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HRH2 P25021 5/20 0.41
PTAFR P25105 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
TBXAS1 P24557 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
SCHEMBL7433578 0.94 EPHX2 (0.43) SMN1; SMN2LMNAHRH2PTAFRHRH4
SCHEMBL9867649 0.93 LMNA (0.49) SMN1; SMN2LMNAHRH2HRH4NPC1
SCHEMBL9867011 0.91 LMNA (0.43) SMN1; SMN2LMNAHRH2HRH4NPC1
SCHEMBL10875814 0.89 HRH2 (0.49) SMN1; SMN2HRH2PTAFRHRH4EPHX2
SCHEMBL9865162 0.87 GAA (0.44) SMN1; SMN2LMNAHRH2MEN1KMT2A
SCHEMBL9866012 0.87 LMNA (0.53) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL9865910 0.87 KMT2A (0.43) SMN1; SMN2LMNAHRH2NPC1RAB9A
SCHEMBL9866425 0.87 RAB9A (0.42) SMN1; SMN2LMNAHRH2HRH4NPC1
SCHEMBL10875704 0.87 PTAFR (0.51) HRH2PTAFRHRH4EPHX2ALDH1A1
SCHEMBL9867640 0.86 SCN5A (0.45) SMN1; SMN2LMNAHRH2HRH4EPHX2

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-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP disclosed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP disclosed
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-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed