SCHEMBL2789672

SCHEMBL2789672

[CH2]COCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
LTA4H P09960 3/20 0.42
PSMB1 P20618 2/20 0.38
PSMB5 P28074 2/20 0.38
PSMB2 P49721 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7321954 0.98 HRH3 (0.50) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL10629084 0.98 HRH3 (0.50) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL16353683 0.95 KDM4E (0.42) HRH3LTA4HKDM4EHTT
SCHEMBL16353721 0.95 KDM4E (0.42) HRH3LTA4HKDM4EHTT
SCHEMBL16353732 0.93 HRH3 (0.46) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL16353799 0.93 HRH3 (0.46) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL964827 0.90
SCHEMBL7110089 0.84 HRH3 (0.55) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7307148 0.83 HRH3 (0.44) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL24059343 0.81 HRH3 (0.60) HRH3LTA4HPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149666-A1 METHODS FOR TREATING NEOPLASIA MEDEXIS S.A. (GR) 2010-12-29 WO claimed
EP-0688786-B1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-08-06 EP claimed
WO-2010149666-A1 METHODS FOR TREATING NEOPLASIA MEDEXIS S.A. (GR) 2010-12-29 WO disclosed
EP-0688786-B1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-08-06 EP disclosed
US-5599806-A CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1997-02-04 US disclosed
EP-0688786-A1 New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-12-27 EP disclosed
EP-0094065-B1 2-AMINOBENZOIC ACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 1989-12-20 EP disclosed
US-4767767-A ANALGESIC, ANTIINFLAMMATORY AGENT FERRER INTERNACIONAL S.A. (ES) 1988-08-30 US disclosed
EP-0087856-B1 A PROCESS FOR THE REMOVAL OF H2S FROM GASEOUS MIXTURES USING DIAMINOETHERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-02-26 EP disclosed
EP-0094065-A2 2-Aminobenzoic acid derivatives, a process for their preparation and pharmaceutical compositions FERRER INTERNACIONAL, S.A. (ES) 1983-11-16 EP disclosed