SCHEMBL7970827

SCHEMBL7970827

CCc1nn(C2CCCC2)c2cc(C(=O)N(C)CC(=O)NO)ccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
CNR1 P21554 6/20 0.36
CNR2 P34972 6/20 0.36
MAPT P10636 1/20 0.35
PDE7A Q13946 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
PDE9A O76083 1/20 0.34
PDE1B Q01064 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL27500994 0.89 TEAD1 (0.42) TEAD1TEAD4TEAD2CNR1CNR2
SCHEMBL7984087 0.86 PDK1 (0.40) TEAD1TEAD4TEAD2CNR1CNR2
SCHEMBL7984229 0.82 PDE4A (0.46) TEAD1TEAD4TEAD2MAPTPDE7A
SCHEMBL28742871 0.81 CNR2 (0.39) TEAD1TEAD4TEAD2CNR1CNR2
SCHEMBL3604069 0.80 TEAD1 (0.43) TEAD1TEAD4TEAD2MAPTPDE7A
SCHEMBL3176719 0.80 TEAD1 (0.53) TEAD1TEAD4TEAD2MAPTPDE7A
SCHEMBL3605146 0.79 MERTK (0.46) TEAD1TEAD4TEAD2CNR1CNR2
SCHEMBL7377745 0.79 SLC22A12 (0.42) TEAD1TEAD4TEAD2MAPTPDE7A
SCHEMBL3604745 0.79 TEAD1 (0.42) TEAD1TEAD4TEAD2MAPTPDE7A
SCHEMBL27701271 0.79 TEAD1 (0.42) TEAD1TEAD4TEAD2MAPTSLC22A12

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-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US disclosed