SCHEMBL7983657

SCHEMBL7983657

NC(CCc1c[nH]c2ccc(F)c(F)c12)OC(=O)/C=C/C(=O)OC(N)CCc1c[nH]c2ccc(F)c(F)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.49
HTR2A P28223 5/20 0.37
HTR1A P08908 4/20 0.37
MPO P05164 5/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2C P28335 4/20 0.34
HTR7 P34969 3/20 0.33
HTR1B P28222 2/20 0.33
HTR5A P47898 2/20 0.33
HTR6 P50406 2/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1E P28566 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ICMT O60725 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL7994177 0.80 GPR84 (0.48) GPR84HTR2AHTR1AHTR2CHTR7
SCHEMBL8001659 0.80 MPO (0.62) HTR2AHTR1AMPOSLC6A4HTR2C
SCHEMBL7998078 0.80 GPR84 (0.48) GPR84HTR2ASLC6A4HTR2CTDP1
SCHEMBL7997361 0.80 HTR2A (0.41) HTR2AHTR2CTDP1NPSR1MEN1
SCHEMBL7993961 0.78 HTR2A (0.53) GPR84HTR2AHTR1AMPOSLC6A4
SCHEMBL7997830 0.75 HTR2A (0.53) GPR84HTR2AHTR1AMPOSLC6A4
SCHEMBL7984083 0.74 HTR2B (0.52) HTR2AHTR1AMPOSLC6A4HTR2C
SCHEMBL7997354 0.73 GPR84 (0.48) GPR84HTR2AHTR1AMPOSLC6A4
SCHEMBL25423399 0.73 GPR84 (0.71) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL31730855 0.73 GPR84 (0.71) GPR84HTR2AHTR1AMPOHTR2C

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-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed