SCHEMBL7355183

SCHEMBL7355183

COc1cc(Cc2nc3c(nnn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.48
POLB P06746 1/20 0.37
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL7354927 0.92 PDE2A (0.57) PDE2APOLBALDH1A1
SCHEMBL7356548 0.84 PDE2A (0.40) PDE2APOLBKMT2A
SCHEMBL2835216 0.82 PDE2A (0.55) PDE2APOLBALDH1A1KMT2A
SCHEMBL7356637 0.81 PDE2A (0.40) PDE2APOLBALDH1A1KMT2AMEN1
SCHEMBL2831825 0.80 PDE2A (0.46) PDE2AKMT2A
SCHEMBL7355722 0.79 ADORA3 (0.48) PDE2APOLBALDH1A1KMT2AMEN1
SCHEMBL4947310 0.78 PDE2A (0.62) PDE2APOLB
SCHEMBL7000731 0.77 PDE2A (0.57) PDE2APOLBALDH1A1
SCHEMBL1960594 0.77 PDE2A (0.43) PDE2APOLBKMT2AMEN1
SCHEMBL1961181 0.76 ALDH1A1 (0.42) POLBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107968-B1 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AG (DE) 2002-11-13 EP disclosed
US-6458796-B1 METHOD OF TREATING CARDIOVASCULAR DISORDERS, THROMBOEMBOLIC DISORDERS AND ISCHAEMIAS, AND UROGENITAL SYSTEM DISORDERS, COMPRISING ADMINISTERING TO MAMMALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed