SCHEMBL3798183

SCHEMBL3798183

Cc1ncc2c(c1O)COC2c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX3 P56373 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31

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
Cicletanine SCHEMBL29915570 0.86 MEN1 (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL637073 0.86 MEN1 (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL6060344 0.86 MEN1 (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL16859315 0.86 MEN1 (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL49794 0.86 MEN1 (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL637385 0.86 MEN1 (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL10830702 0.86 CYP2D6 (0.38) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL11135868 0.85 MEN1 (0.34) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL387011 0.85 KDM4E (0.35) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Cicletanine SCHEMBL29633447 0.85 KDM4E (0.35) KDM4EMEN1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167082-A1 COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS Gilead Sciences, Inc. (US) 2010-03-31 EP disclosed
EP-1951264-A4 USE OF CICLETANINE AND OTHER FUROPYRIDINES FOR TREATMENT OF HYPERTENSION NAVITAS PHARMA INC (US) 2009-03-25 EP disclosed
WO-2009012223-A1 COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS GILEAD SCIENCES, INC. (US) 2009-01-22 WO disclosed
EP-1951264-A2 USE OF CICLETANINE AND OTHER FUROPYRIDINES FOR TREATMENT OF HYPERTENSION Navitas Pharma, Inc. (US) 2008-08-06 EP disclosed
US-20070141174-A1 Enantiomeric compositions of cicletanine, in combination with other agents, for the treatment of hypertension NAVITAS PHARMA, INC. (US) 2007-06-21 US disclosed
WO-2007056454-A2 USE OF CICLETANINE AND OTHER FUROPYRIDINES FOR TREATMENT OF HYPERTENSION NAVITAS PHARMA (US) 2007-05-18 WO disclosed
US-20070105817-A1 Use of cicletanine and other furopyridines for treatment of systolic-predominant hypertension, isolated systolic hypertension, elevated pulse pressure, and general hypertension GILEAD SCIENCES, INC. 2007-05-10 US disclosed
WO-2006128035-A2 ENANTIOMERIC COMPOSITIONS OF CICLETANINE, IN COMBINATION WITH OTHER AGENTS, FOR THE TREATMENT OF HYPERTENSION NAVITAS PHARMA, INC. (US) 2006-11-30 WO disclosed
US-4569938-A Diuretic, antihypertensive and antihistaminic 7-carboxymethoxy-furo-(3,4-c)-pyridine derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1986-02-11 US disclosed