SCHEMBL7677344

SCHEMBL7677344

CC(C)(C)OC(=O)NN1CC=C(c2ccc(CC=O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
LIPE Q05469 1/20 0.36
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
CYP17A1 P05093 1/20 0.35
F2 P00734 1/20 0.35
WNT3A P56704 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
KIT P10721 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR6 P50406 1/20 0.33
PDK4 Q16654 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CDK7 P50613 1/20 0.33
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 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
SCHEMBL1368952 0.77 NAMPT (0.36) NAMPTLIPEHTR1DHTR1BPDK4
SCHEMBL7666251 0.74 NAMPT (0.40) NAMPTF2WNT3AKMT2A
SCHEMBL7671538 0.73 PDK4 (0.44) NAMPTLIPEMEN1KMT2AHTR6
SCHEMBL20605254 0.72 LIPE (0.40) LIPEDRD2MEN1KMT2A
SCHEMBL30478686 0.71 TBK1 (0.33) NAMPTLIPEHTR1DHTR1BKMT2A
SCHEMBL30478691 0.71 TBK1 (0.33) NAMPTLIPEHTR1DHTR1BKMT2A
SCHEMBL702839 0.68 CYP17A1 (0.58) NAMPTCYP17A1DRD2MEN1KMT2A
SCHEMBL694492 0.68 L3MBTL1 (0.53) NAMPT
SCHEMBL22340252 0.68 NAMPT (0.55) NAMPTWNT3AKITHTR6PDK4
SCHEMBL17876418 0.67 NAMPT (0.57) NAMPTWNT3AHTR6PDK4CDK7

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-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed