SCHEMBL6052081

SCHEMBL6052081

COc1ccc(Cc2nc3c(ncn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1S(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
RNASEH1 O60930 1/20 0.38
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6051998 0.95 PDE2A (0.42) PDE2AALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6052078 0.88 TDP1 (0.43) ALDH1A1CYP3A4CYP2D6SMN1; SMN2TDP1
SCHEMBL6051992 0.83 TDP1 (0.39) PDE2AALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6023837 0.81 PDE2A (0.51) PDE2ARNASEH1
SCHEMBL6023204 0.81 PDE2A (0.51) PDE2ARNASEH1
SCHEMBL6052089 0.78 PDE2A (0.49) PDE2ARNASEH1
SCHEMBL7440929 0.77 PDE2A (0.54) PDE2ARNASEH1
SCHEMBL6023263 0.76 PDE2A (0.44) PDE2ARNASEH1
SCHEMBL359546 0.74 PDE2A (0.51) PDE2AALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL6024137 0.74 PDE2A (0.42) PDE2A

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
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US claimed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP claimed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO claimed
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US disclosed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP disclosed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO disclosed