SCHEMBL7984087

SCHEMBL7984087

CCOC(=O)CN(C)C(=O)c1ccc2c(CC)nn(C3CCCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
PDE7A Q13946 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
SLC22A12 Q96S37 2/20 0.37
ALDH1A1 P00352 4/20 0.36
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 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
SCHEMBL27500994 0.89 TEAD1 (0.42) PDK1PDK2PDK3PDK4OPRM1
SCHEMBL7970827 0.86 TEAD1 (0.36) PDE7ASLC22A12TEAD1TEAD4TEAD2
SCHEMBL28742871 0.85 CNR2 (0.39) PDE7ASLC22A12TEAD1TEAD4TEAD2
SCHEMBL7983565 0.81 MEN1 (0.50) PDE7AALDH1A1MEN1HPGDKMT2A
SCHEMBL3604069 0.80 TEAD1 (0.43) PDE7ASLC22A12TEAD1TEAD4TEAD2
SCHEMBL3176719 0.80 TEAD1 (0.53) PDE7ASLC22A12ALDH1A1TEAD1TEAD4
SCHEMBL3605146 0.79 MERTK (0.46) PDE7ASLC22A12ALDH1A1TEAD1TEAD4
SCHEMBL28742873 0.79 CNR1 (0.40) SLC22A12TEAD1TEAD4TEAD2CNR1
SCHEMBL3604745 0.79 TEAD1 (0.42) PDE7ASLC22A12TEAD1TEAD4TEAD2
SCHEMBL7377745 0.79 SLC22A12 (0.42) PDE7ASLC22A12TEAD1TEAD4TEAD2

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 1 patent. 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 disclosed