SCHEMBL2360293

SCHEMBL2360293

CN(Cc1ccccc1)C1CCc2[nH]c3ccc(C(=O)NO)cc3c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTR1B P28222 3/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
RAB9A P51151 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRM1 P35372 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43

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
SCHEMBL9334148 0.87 HTR1F (0.56) HTR1FKMT2AMEN1ALDH1A1LMNA
Oxalic Acid SCHEMBL7765669 0.87 HTR1F (0.53) HTR1FKMT2AMEN1ALDH1A1LMNA
SCHEMBL9333438 0.85 HTR1F (0.68) HTR1FKMT2AMEN1ALDH1A1LMNA
SCHEMBL9263920 0.85 HTR1F (0.48) HTR1FKMT2AMEN1ALDH1A1LMNA
Oxalic Acid SCHEMBL9334173 0.84 HTR1F (0.64) HTR1FKMT2AMEN1ALDH1A1LMNA
SCHEMBL7407941 0.80 NR2E1 (0.52) HTR1BHTR1DTP53
SCHEMBL2323086 0.80 HTR1F (0.48) HTR1FKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3797046 0.80 RB1 (0.56) KMT2AMEN1ALDH1A1LMNAHTR1B
SCHEMBL9263948 0.78 HTR1F (0.52) HTR1FKMT2AMEN1ALDH1A1LMNA
SCHEMBL2365340 0.76 HTR1B (0.56) KMT2AMEN1ALDH1A1LMNAHTR1B

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-2011095803-A1 HPLC METHOD FOR ANALYZING FROVATRIPTAN GENERICS [UK] LIMITED (GB) 2011-08-11 WO claimed
WO-2011095803-A1 HPLC METHOD FOR ANALYZING FROVATRIPTAN GENERICS [UK] LIMITED (GB) 2011-08-11 WO disclosed