SCHEMBL7017152

SCHEMBL7017152

COc1nccc2cc(C3(OC)CCN(C(=O)OC(C)(C)C)CC3)oc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
GPR119 Q8TDV5 4/20 0.43
NAMPT P43490 6/20 0.40
CYP2C9 P11712 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CFTR P13569 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 1/20 0.37
TLR9 Q9NR96 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7015009 0.89 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DGPR119
Tert-Butanol SCHEMBL7012645 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL7011850 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL7015742 0.81 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL7016954 0.74 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL7015027 0.72 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL23411531 0.72 PIK3CA (0.42) GPR119NAMPTOPRD1OPRK1
SCHEMBL5472913 0.71 GPR119 (0.52) GPR119CYP2C9JAK2JAK1OPRD1
SCHEMBL3258235 0.69 OPRD1 (0.50) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL1513657 0.68 TSHR (0.55) GPR119OPRD1OPRK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP disclosed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed