SCHEMBL9828096

SCHEMBL9828096

N=C(NCCCc1c[nH]cn1)NCCCC(c1ccc(F)cc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Arpromidine SCHEMBL9710060 0.96 NPY1R (0.41) NPY1RMEN1KMT2A
SCHEMBL9827438 0.93 ALDH1A1 (0.40)
SCHEMBL9827663 0.89 ALDH1A1 (0.40)
SCHEMBL9710008 0.87 CYP19A1 (0.41) MEN1KMT2A
SCHEMBL9828176 0.86 HRH1 (0.45)
SCHEMBL9827825 0.86 CHRM2 (0.45)
SCHEMBL9828102 0.84 NPY1R (0.55) NPY1R
SCHEMBL9828126 0.84 EPHX2 (0.39)
SCHEMBL7312755 0.84 CNR1 (0.40)
SCHEMBL7277082 0.81 LMNA (0.38)

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 5 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-0302896-B1 N-(W-SUBSTITUTED ALKYL)-N'-[(IMIDAZOLE-4-YL)ALKYL]GUANIDINE CEDONA PHARMACEUTICALS B.V. (NL) 1991-08-14 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-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