SCHEMBL6451740

SCHEMBL6451740

COc1ccc(CCCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 2/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTR6 P50406 1/20 0.40
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
SFRP1 Q8N474 1/20 0.37
SLC2A1 P11166 1/20 0.36
ABCB1 P08183 1/20 0.36
MTNR1A P48039 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
SCHEMBL4162892 0.97 MAPT (0.44) MAPTKDM4ETP53CYP3A4TSHR
SCHEMBL9603542 0.93 HTR6 (0.47) MAPTKDM4ETP53CYP3A4TSHR
SCHEMBL13940140 0.89 KMT2A (0.39) MAPTKDM4ETP53CYP3A4TSHR
Fantofarone SCHEMBL77818 0.87 CYP3A4 (0.59) MAPTKDM4ETP53CYP3A4TSHR
Fantofarone SCHEMBL29802340 0.87 CYP3A4 (0.59) MAPTKDM4ETP53CYP3A4TSHR
SCHEMBL8239232 0.86 NPSR1 (0.42) MAPTKDM4ETP53CYP3A4TSHR
SCHEMBL9272756 0.86 MEN1 (0.43) KDM4EALDH1A1HTR6SMN1; SMN2LMNA
SCHEMBL10338206 0.86 MAPT (0.43) MAPTKDM4ETP53CYP3A4TSHR
SCHEMBL9598076 0.86 CYP3A4 (0.57) MAPTKDM4ETP53CYP3A4TSHR
Fantofarone SCHEMBL9599714 0.86 CYP3A4 (0.59) MAPTKDM4ETP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US disclosed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP disclosed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed
EP-0858325-B1 STABLE FREEZE-DRIED PHARMACEUTICAL FORMULATION SANOFI SYNTHELABO (FR) 2002-07-31 EP disclosed
US-6284277-B1 NONPROTEIN SANOFI-SYNTHELABO (FR) 2001-09-04 US disclosed
EP-0858325-A1 STABLE FREEZE-DRIED PHARMACEUTICAL FORMULATION SANOFI (FR) 1998-08-19 EP disclosed
WO-1997017064-A1 STABLE FREEZE-DRIED PHARMACEUTICAL FORMULATION SANOFI (FR) 1997-05-15 WO disclosed