SCHEMBL9828176

SCHEMBL9828176

N=C(NCCCc1c[nH]cn1)NCCC(c1ccc(Cl)cc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
ADRA2B P18089 2/20 0.45
SLC6A2 P23975 2/20 0.45
HRH2 P25021 2/20 0.45
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
ADRA1A P35348 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL9827663 0.93 ALDH1A1 (0.40) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL9827825 0.90 CHRM2 (0.45) HRH1HRH3CHRM2CHRM1ADRA2B
Arpromidine SCHEMBL9710060 0.90 NPY1R (0.41)
SCHEMBL14040971 0.90 HRH1 (0.44) HRH1HRH3CHRM2CHRM5CHRM1
SCHEMBL9827438 0.89 ALDH1A1 (0.40) CHRM2SLC6A2SLC6A4TSHRSCN1A
SCHEMBL14040975 0.89 BLM (0.46) HRH1HRH3CHRM2CHRM5CHRM1
SCHEMBL7312755 0.88 CNR1 (0.40)
SCHEMBL9828096 0.86 NPY1R (0.38)
SCHEMBL9709892 0.84 KDM1A (0.40) KCNH2LMNA
SCHEMBL8313063 0.84 HRH1 (0.48) HRH1HRH3CHRM2CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302896-B1 N-(W-SUBSTITUTED ALKYL)-N'-[(IMIDAZOLE-4-YL)ALKYL]GUANIDINE CEDONA PHARMACEUTICALS B.V. (NL) 1991-08-14 EP claimed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP claimed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP claimed
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-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP 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