SCHEMBL6977266

SCHEMBL6977266

COc1cccc2c3cccc4c(=O)c(Cc5cccnc5)cn(c12)c43

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
IDO1 P14902 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL6979540 0.87 CNR1 (0.39) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL6981815 0.82 GABRA1 (0.46) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL6982514 0.80 CNR1 (0.39) CNR1CNR2KDM4EALDH1A1HTT
SCHEMBL7666493 0.79 GABRA1 (0.40) CNR1CNR2KDM4EHTTLMNA
SCHEMBL6973978 0.78 CNR1 (0.39) CNR1CNR2KDM4EALDH1A1HTT
SCHEMBL6979014 0.77 GABRA1 (0.41) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL6968571 0.76 GABRA1 (0.43) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL8144941 0.76 CYP19A1 (0.38) KDM4EALDH1A1HTTIDO1SMN1; SMN2
SCHEMBL6979991 0.76 TSHR (0.43) CNR2KDM4EALDH1A1HTTHPGD
SCHEMBL8145307 0.76 PARP1 (0.38) KDM4EALDH1A1GAAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed