SCHEMBL840723

SCHEMBL840723

NC(=O)c1cnc(C(N)=O)c(CC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PSMD14 O00487 1/20 0.34
STAMBP O95630 1/20 0.34
COPS5 Q92905 1/20 0.34
VNN1 O95497 3/20 0.33
HPGDS O60760 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1503085 0.80 NNMT (0.40) NNMTSMN1; SMN2KDM4EPSMD14STAMBP
SCHEMBL30478243 0.80 NNMT (0.41) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL28285907 0.80 NNMT (0.41) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL28058293 0.75 HPGDS (0.35) NNMTSMN1; SMN2KDM4EPSMD14STAMBP
SCHEMBL4650847 0.74 NNMT (0.41) NNMTSMN1; SMN2KDM4EMAPTVNN1
SCHEMBL30617860 0.73 HPGDS (0.36) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL27688112 0.70 PDK2 (0.41) KMT2AL3MBTL1
SCHEMBL28229692 0.70 CYP11B2 (0.45) KDM4EKMT2A
SCHEMBL28220168 0.70 SYK (0.37) NNMTSMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL2397267 0.70 NNMT (0.44) NNMTSMN1; SMN2KDM4EPSMD14STAMBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US claimed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP claimed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed