SCHEMBL7288663

SCHEMBL7288663

NC(=NCCN(Cc1cccs1)c1ccccc1)NCCCc1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.34
SCN2A Q99250 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 2/20 0.34
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL7288384 0.93 SCN5A (0.34) SCN5ASCN2AHRH4ADRA2AADRA2B
Hydrochloric Acid SCHEMBL10369610 0.86 HRH4 (0.41) HRH4HRH3CYP2D6
Hydrochloric Acid SCHEMBL10371446 0.81 HRH4 (0.40) HRH4HRH3KCNH2
SCHEMBL7288371 0.81 ADRA2A (0.35) ADRA2AADRA2BADRA2CCYP1A2CHRM2
Hydrochloric Acid SCHEMBL10368540 0.81 GBA1 (0.40) HRH4HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL10369553 0.81 HRH4 (0.38) HRH4HRH3KCNH2
Hydrochloric Acid SCHEMBL10369460 0.81 GBA1 (0.39) SCN5ASCN2AHRH4HRH3MEN1
SCHEMBL9771136 0.80 HRH4 (0.37) HRH4HRH3
SCHEMBL9828331 0.76 MTNR1A (0.38)
Hydrochloric Acid SCHEMBL10368498 0.76 SSTR4 (0.46) HRH4HRH3ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262448-A1 Imidazolylguanidine derivatives, process for their preparation and medicines containing them HEUMANN PHARMA GMBH & CO (DE) 1988-04-06 EP disclosed