SCHEMBL9709892

SCHEMBL9709892

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
EPHX2 P34913 7/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL9828126 0.95 EPHX2 (0.39) KDM1AMAOBEPHX2MTNR1AMTNR1B
SCHEMBL9710008 0.93 CYP19A1 (0.41) KDM1AMAOBEPHX2MTNR1AMTNR1B
SCHEMBL9771158 0.93 MTNR1A (0.41) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL9827663 0.91 ALDH1A1 (0.40) EPHX2ALDH1A1
SCHEMBL9827438 0.87 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL9709997 0.85 EPHX2 (0.48) EPHX2KCNH2LMNAHPGD
SCHEMBL9771022 0.85 SIGMAR1 (0.43) KCNH2MAPTMAPK1SMN1; SMN2
SCHEMBL9867117 0.85 L3MBTL1 (0.43) EPHX2CNR1HPGD
Arpromidine SCHEMBL9710060 0.84 NPY1R (0.41)
SCHEMBL9827825 0.84 CHRM2 (0.45) KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO claimed
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-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
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO disclosed
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
US-5010095-A Antiallergens, congestive heart failure CEDONA PHARMACEUTICALS B.V. (NL) 1991-04-23 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