SCHEMBL7294209

SCHEMBL7294209

NCCC(c1ccc(C(F)(F)F)cc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 6/20 0.48
KCNH2 Q12809 5/20 0.48
KCNK2 O95069 1/20 0.48
CACNA1C Q13936 1/20 0.48
CHRM2 P08172 5/20 0.48
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
FFAR1 O14842 1/20 0.46
HRH1 P35367 5/20 0.46
CHRM1 P11229 4/20 0.46
ADRA2B P18089 3/20 0.46
HTR2A P28223 3/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 2/20 0.46
THPO P40225 2/20 0.46
DRD1 P21728 2/20 0.46

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
SCHEMBL7289657 0.85 PNMT (0.50) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9812324 0.85 SLC6A2 (0.63) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7276674 0.84 SLC6A2 (0.51) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5161949 0.81 HRH1 (0.67) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10368383 0.81 SLC6A2 (0.68) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29360970 0.81 CHRM2 (0.68) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7288069 0.81 SLC6A2 (0.55) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9574865 0.81 CHRM2 (0.68) HRH3SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4433367 0.80 HRH1 (0.64) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11049849 0.79 FFAR1 (0.48) HRH3SLC6A2SLC6A4CHRM2SCN1A

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
EP-0262448-B1 IMIDAZOLYLGUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1991-12-18 EP disclosed
US-4912119-A Cardiovascular disorders HEUMANN PHARMA GMBH & CO. (DE) 1990-03-27 US disclosed
EP-0262448-A1 Imidazolylguanidine derivatives, process for their preparation and medicines containing them HEUMANN PHARMA GMBH & CO (DE) 1988-04-06 EP disclosed