SCHEMBL1726675

SCHEMBL1726675

O=C(O)N1CCC(c2nc(F)c(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 6/20 0.38
ALDH1A1 P00352 8/20 0.37
HTT P42858 6/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 6/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL1420738 0.88 GPR174 (0.37) GPR174ALDH1A1HTTLMNAMAPT
SCHEMBL1420688 0.86 CYP2C9 (0.39) ALDH1A1MAPTPOLBCYP2C9CYP2C19
SCHEMBL1463152 0.83 MAPT (0.45) GPR174ALDH1A1HTTLMNAMAPT
SCHEMBL1463154 0.72 MAPT (0.43) GPR174ALDH1A1HTTLMNAMAPT
SCHEMBL1462908 0.72 GPR119 (0.44) ALDH1A1HTTLMNAMAPTHPGD
SCHEMBL21986291 0.71 HCAR3 (0.50) GPR174ALDH1A1HTTLMNAMAPT
SCHEMBL17844433 0.69 GRM2 (0.38)
SCHEMBL1865742 0.69 SRD5A2 (0.41) GPR174ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1303713 0.68 PDE10A (0.39) CYP2C9
SCHEMBL12485845 0.67 GPR119 (0.43) GPR174ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037282-A3 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-05-10 WO disclosed
EP-2324010-B1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-30 EP disclosed