SCHEMBL2365340

SCHEMBL2365340

O=C(NO)c1ccc2[nH]c3c(c2c1)CC(Nc1ccccc1)CC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.56
HTR1A P08908 2/20 0.56
HTR1D P28221 1/20 0.56
KMT2A Q03164 3/20 0.55
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
HTR1E P28566 1/20 0.52
HTR7 P34969 1/20 0.52
OPRM1 P35372 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3797046 0.85 RB1 (0.56) HTR1BHTR1AHTR1DKMT2ADRD2
SCHEMBL3791546 0.84 HTR1B (0.77) HTR1BHTR1AHTR1DKMT2ADRD2
SCHEMBL3470949 0.84 HTR1B (0.77) HTR1BHTR1AHTR1DKMT2ADRD2
SCHEMBL2356044 0.84 HTR1B (0.77) HTR1BHTR1AHTR1DKMT2ADRD2
Bromide SCHEMBL9270717 0.84 HTR1B (0.76) HTR1BHTR1AHTR1DKMT2ADRD2
Hydrochloric Acid SCHEMBL7744322 0.84 HTR1B (0.76) HTR1BHTR1AHTR1DKMT2ADRD2
SCHEMBL9333527 0.83 HTR1B (0.61) HTR1BHTR1AHTR1DKMT2ADRD2
Oxalic Acid SCHEMBL7770277 0.82 HTR1B (0.58) HTR1BHTR1AHTR1DKMT2ADRD2
SCHEMBL7743816 0.82 HTR1A (0.60) HTR1BHTR1AHTR1DKMT2ADRD2
SCHEMBL9265318 0.82 HTR1A (0.60) HTR1BHTR1AHTR1DKMT2ADRD2

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