SCHEMBL7368438

SCHEMBL7368438

CC(O)C1CCC(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
AURKA O14965 1/20 0.41
LCK P06239 1/20 0.41
MET P08581 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL7371576 0.95 PDE4A (0.59) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7403749 0.87 POLB (0.51) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7368357 0.82 MEN1 (0.43) GAAAURKALCKMETKDR
SCHEMBL7680392 0.82 MEN1 (0.43) GAAAURKALCKMETKDR
SCHEMBL7371639 0.82 PDE4A (0.55) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL5384686 0.82 PDE4A (0.64) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL5384670 0.82 PDE4A (0.64) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7371736 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL5393537 0.79 PDE4A (0.54) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL5388414 0.78 PDE4A (0.54) POLBPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed