SCHEMBL9828126

SCHEMBL9828126

N=C(NCCCc1c[nH]cn1)NCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KDM1A O60341 2/20 0.35
MAOB P27338 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CNR1 P21554 1/20 0.34
HTR1B P28222 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL9709892 0.95 KDM1A (0.40) EPHX2KCNH2KDM1AMAOBMTNR1A
SCHEMBL9827438 0.91 ALDH1A1 (0.40)
SCHEMBL9710008 0.89 CYP19A1 (0.41) EPHX2KDM1AMAOBMTNR1AMTNR1B
SCHEMBL9771158 0.88 MTNR1A (0.41) EPHX2MTNR1AMTNR1BCNR1
SCHEMBL9827663 0.87 ALDH1A1 (0.40) EPHX2
SCHEMBL9771022 0.85 SIGMAR1 (0.43) KCNH2SIGMAR1MTOR
SCHEMBL9867117 0.85 L3MBTL1 (0.43) EPHX2SIGMAR1CNR1
SCHEMBL9828096 0.84 NPY1R (0.38)
SCHEMBL9119383 0.83 CYP19A1 (0.43) HTR2AHRH1SIGMAR1HTR1B
SCHEMBL9866251 0.82 SIGMAR1 (0.42) EPHX2SIGMAR1

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
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 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