SCHEMBL7746183

SCHEMBL7746183

COC(=O)c1c(C)cc2cc(OC)c(OC)cc2c1-c1ccnc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 12/20 0.61
PDE1B Q01064 12/20 0.61
PDE1C Q14123 12/20 0.61
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
CASP3 P42574 1/20 0.41
PPP1CA P62136 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CYP1A1 P04798 1/20 0.39

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
SCHEMBL983806 0.89 PDE1A (0.68) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL16690970 0.88 PDE1A (0.60) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746164 0.87 PDE1A (0.47) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746654 0.85 PDE1A (0.50) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746112 0.83 PDE1A (0.65) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746173 0.82 PDE1A (0.55) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746194 0.80 PDE3B (0.52) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL13668874 0.79 PDE1A (0.55) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL15850367 0.78 PDE1A (0.59) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL16690981 0.77 PDE1A (0.41) 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