SCHEMBL7746194

SCHEMBL7746194

COc1cc2cc(C)c(CO)c(-c3ccnc(Br)c3)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.52
PDE3A Q14432 18/20 0.52
PDE1A P54750 17/20 0.52
PDE1B Q01064 17/20 0.52
PDE1C Q14123 17/20 0.52
PDE4A P27815 17/20 0.52
PDE4B Q07343 17/20 0.52
PDE4C Q08493 17/20 0.52
PDE4D Q08499 17/20 0.52
PDE5A O76074 16/20 0.52
TNF P01375 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
SCHEMBL7746637 0.88 PDE4A (0.68) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL7747662 0.84 PDE4A (0.61) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL7749408 0.81 PDE4A (0.51) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL7746183 0.80 PDE1A (0.61) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL16690981 0.79 PDE1A (0.41) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL12358809 0.77 PDE1A (0.49) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL7742029 0.74 PDE4A (0.68) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL7746622 0.74 PDE3B (0.68) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL7747188 0.73 PDE4A (0.70) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL983806 0.73 PDE1A (0.68) PDE3BPDE3APDE1APDE1BPDE1C

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