SCHEMBL8207359

SCHEMBL8207359

Cc1nn(C(=O)OC(C)(C)C)c2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.40
SCN5A Q14524 1/20 0.39
MAP2K4 P45985 1/20 0.38
ELANE P08246 2/20 0.36
SSTR4 P31391 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.34
TP53 P04637 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GRM5 P41594 2/20 0.33
GRM1 Q13255 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KDM1A O60341 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
RARG P13631 1/20 0.33
RORC P51449 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 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
SCHEMBL14158639 0.86 MAP2K4 (0.40) SCN9ASCN5AMAP2K4SSTR4L3MBTL1
SCHEMBL16149702 0.85 SCN9A (0.37) SCN9ASCN5AMAP2K4ELANESSTR4
SCHEMBL14240104 0.84 SCN9A (0.37) SCN9ASCN5AMAP2K4SSTR4BCHE
SCHEMBL8213133 0.84 SCN9A (0.34) SCN9ASCN5AMAP2K4ELANEBCHE
SCHEMBL8215915 0.82 SCN9A (0.36) SCN9ASCN5AMAP2K4SSTR4L3MBTL1
SCHEMBL8218069 0.81 FAAH (0.35) SCN9ASCN5AMAP2K4ELANEBCHE
SCHEMBL31460467 0.80 USP30 (0.37) SCN9ASCN5AMAP2K4ELANEL3MBTL1
SCHEMBL31460540 0.78 MAP2K4 (0.34) SCN9AMAP2K4GPR119FAAHRORC
SCHEMBL8216089 0.77 ELANE (0.52) SCN9AMAP2K4ELANEL3MBTL1BCHE
SCHEMBL30438541 0.74 CYP11B1 (0.43) SCN9ASCN5AELANEBCHETP53

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
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed
WO-2008040995-A9 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LTD (GB) 2008-12-31 WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO disclosed