SCHEMBL7084154

SCHEMBL7084154

CC(=O)Oc1cc2c(=O)c(Cn3cncn3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
LMNA P02545 1/20 0.36
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
TBXAS1 P24557 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6981361 0.90 CYP19A1 (0.44) CYP19A1LMNA
SCHEMBL7088955 0.87 BRD4 (0.35) CYP19A1LMNAHDAC1HDAC6TBXAS1
SCHEMBL6979851 0.79 LMNA (0.41) LMNACNR2CNR1POLBHTT
SCHEMBL6968626 0.78 FPR1 (0.39) LMNATBXAS1
SCHEMBL8157626 0.72 POLB (0.36) LMNACNR2POLBHTT
SCHEMBL6979263 0.68 LMNA (0.60) LMNAHTT
SCHEMBL6976246 0.68 ALDH1A1 (0.50) LMNACNR2
SCHEMBL6975925 0.67 PTGDR2 (0.41) LMNA
SCHEMBL6981582 0.67 FPR1 (0.34) TBXAS1
SCHEMBL6977175 0.67 GABRA1 (0.39) CNR2CNR1

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