SCHEMBL6978017

SCHEMBL6978017

CC(C)(C)OC(=O)COc1cc2c(=O)ccn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNFRSF1A P19438 1/20 0.37
ALDH1A1 P00352 3/20 0.34
PTPN1 P18031 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 3/20 0.32

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
SCHEMBL6981400 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6979890 0.86 CTRC (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6971985 0.78 SMN1; SMN2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6980950 0.78 MCL1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6982970 0.78 GABRP (0.35) MAPTNPSR1ALDH1A1PTPN1KDM4E
SCHEMBL6983135 0.77 PTGDR2 (0.39) POLBKDM4EPTGDR2MEN1KMT2A
SCHEMBL6979976 0.77 SMN1; SMN2 (0.34) MAPTLMNANPSR1ALDH1A1PTGDR2
SCHEMBL6984474 0.77 TNFRSF1A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6974001 0.75 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7971630 0.73 EGLN1 (0.33) EGLN1

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