SCHEMBL5823404

SCHEMBL5823404

COc1ccc(-c2cncnc2)cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.62
PDE4B Q07343 10/20 0.60
PDE4C Q08493 10/20 0.60
PDE4D Q08499 10/20 0.60
FPR2 P25090 2/20 0.57
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
GAK O14976 1/20 0.50

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
Hydrochloric Acid SCHEMBL8202247 0.99 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5823060 0.88 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8202230 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5818764 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DFPR2
Hydrochloric Acid SCHEMBL8203396 0.84 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8204138 0.83 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7417302 0.83 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DFPR2
Hydrochloric Acid SCHEMBL8202348 0.83 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8204245 0.81 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8204177 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3806441-B2 2006-08-09 JP claimed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 EP claimed
US-5491147-A PHOSPHODIESTERASE IV INHIBITORS CELLTECH, LIMITED (GB) 1996-02-13 US claimed
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP claimed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 WO claimed
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