SCHEMBL7741982

SCHEMBL7741982

CCCCCCCCOc1cc2cc(C(=O)OC)c(C(=O)OC)c(-c3cc[n+]([O-])cc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 12/20 0.46
PDE1B Q01064 12/20 0.46
PDE1C Q14123 12/20 0.46
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
SMPD1 P17405 3/20 0.40

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
SCHEMBL7746524 0.96 PDE1A (0.48) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746140 0.89 PDE1A (0.50) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7747640 0.89 PDE1A (0.50) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7289432 0.88 PDE1A (0.57) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746132 0.87 PDE1A (0.48) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746408 0.86 PDE1A (0.45) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7747567 0.83 PDE1A (0.46) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746551 0.83 PDE1A (0.49) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7747637 0.82 PDE1A (0.48) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746547 0.82 PDE1A (0.50) 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