SCHEMBL2883347

SCHEMBL2883347

CC(CCCc1ccccc1)n1nnc2c(=O)[nH]cnc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
ADORA2B P29275 3/20 0.42
MAPT P10636 1/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
KMT2A Q03164 1/20 0.37
PNP P00491 1/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL2831825 0.79 PDE2A (0.46) ADORA3KMT2AHPGDHTT
SCHEMBL21943145 0.78 CYP1A2 (0.40) ADORA3ADORA2BKMT2APNPMAPK1
SCHEMBL2836366 0.77 PDE2A (0.42) ADORA3KMT2AHPGDHTT
SCHEMBL1959212 0.77 PDE2A (0.42) ADORA3MAPTKMT2APNPPOLB
SCHEMBL1961857 0.76 HPGD (0.42) KMT2APOLBLMNAMAPK1ALDH1A1
SCHEMBL1960594 0.76 PDE2A (0.43) ADORA3MAPTKMT2APOLBHPGD
SCHEMBL2833418 0.76 KMT2A (0.40) KMT2APOLBLMNAALDH1A1HPGD
SCHEMBL1962754 0.75 PDE2A (0.42) ADORA3KMT2AHPGDHTT
SCHEMBL7360012 0.74 HPGD (0.47) ADORA3MAPTKMT2APOLBHPGD
SCHEMBL1960096 0.74 PDE2A (0.42) ADORA3MAPTKMT2APOLBHPGD

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
US-7666872-B2 Use for PDE5 inhibitors NYCOMED GMBH (DE) 2010-02-23 US disclosed
US-20070185114-A1 Novel use for pde5 inhibitors ALTANA PHARMA AG (DE) 2007-08-09 US disclosed