SCHEMBL7746102

SCHEMBL7746102

COC(=O)c1ccc2cc(OC)c(OC)cc2c1-c1cc[n+]([O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PDE1A P54750 7/20 0.42
PDE1B Q01064 7/20 0.42
PDE1C Q14123 7/20 0.42
PDE3B Q13370 5/20 0.42
PDE3A Q14432 5/20 0.42
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7289432 0.85 PDE1A (0.57) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746240 0.82 CYP46A1 (0.46) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7288971 0.81 NPC1 (0.42) MAPTPDE1APDE1BPDE1CPDE3B
SCHEMBL7746141 0.81 PDE1A (0.48) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7747640 0.79 PDE1A (0.50) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746547 0.79 PDE1A (0.50) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746140 0.79 PDE1A (0.50) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746524 0.77 PDE1A (0.48) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7747567 0.75 PDE1A (0.46) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7741982 0.75 PDE1A (0.46) PDE1APDE1BPDE1CPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214996-B1 SHOWING EXCELLENT BRONCHIOCONSTRICTION INHIBITORY ACTIVITY,USEFUL IN THE PROPHYLAXIS OR TREATNEBT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 2001-04-10 US disclosed
US-6005106-A BRONCHOCONSTRICTOR AGENTS USEFUL IN THE TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-12-21 US disclosed
US-5969140-A AMINOPYRIDINE DERIVATIVES OF NAPHTHALENE FOR TREATMENT OF ASTHMA AND BRONCHOCONSTRICTOR INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1999-10-19 US disclosed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP disclosed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP disclosed