SCHEMBL7417302

SCHEMBL7417302

COc1ccc(-c2cnc(N)nc2)cc1OC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.68
PDE4D Q08499 10/20 0.68
PDE4B Q07343 9/20 0.68
PDE4C Q08493 9/20 0.68
GAK O14976 1/20 0.54
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
FPR2 P25090 1/20 0.50
PIK3CA P42336 1/20 0.48

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
SCHEMBL8202230 0.88 PDE4A (0.66) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL8204138 0.86 PDE4A (0.65) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL5823060 0.85 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL5823358 0.85 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL8204245 0.84 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL5823404 0.83 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL7450822 0.83 PDE4A (0.71) PDE4APDE4DPDE4BPDE4CS1PR1
Hydrochloric Acid SCHEMBL8202247 0.82 PDE4A (0.60) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7474371 0.82 PDE4A (0.63) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL6925796 0.81 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080790-A SELECTIVE AND POTENT INHIBITORS OF PHOSPHODIESTERASE IV AND ARE USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY DISEASES AND THE ALLEVIATION OF CONDITIONS ASSOCIATED WITH CENTRAL NERVOUS MALFUNCTION CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-27 US disclosed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 EP disclosed
US-5674880-A ANTIINFLAMMATORY AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-07 US disclosed
US-5491147-A PHOSPHODIESTERASE IV INHIBITORS CELLTECH, LIMITED (GB) 1996-02-13 US disclosed
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP disclosed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 WO disclosed