SCHEMBL9374458

SCHEMBL9374458

O=C1C=CC(=O)N1c1c[nH]c2cccc(F)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.51
FFAR1 O14842 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
HTR2A P28223 4/20 0.44
TLR9 Q9NR96 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
FEN1 P39748 1/20 0.40
FAAH O00519 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
SLC6A4 P31645 2/20 0.35

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
SCHEMBL856333 0.73 TLR9 (0.52) MGLLGPR84TLR9
SCHEMBL2362716 0.71 MGLL (0.57) MGLLHTR2ATLR9FAAH
SCHEMBL7609673 0.70 MGLL (0.70) MGLLTLR9FAAH
SCHEMBL29510492 0.69 MGLL (1.00) MGLLTLR9FAAH
SCHEMBL3169850 0.69 MGLL (1.00) MGLLTLR9FAAH
SCHEMBL10433672 0.68 TSHR (0.48) MGLLGPR84HTR2AHTR2CHTR2B
SCHEMBL8316444 0.68 GPR84 (0.47) MGLLGPR84HTR2AFEN1FAAH
SCHEMBL10433669 0.67 MGLL (0.50) MGLLTLR9HTR1AHTR7HTR6
SCHEMBL5691480 0.66 MGLL (0.44) MGLLGPR84HTR2ATLR9HTR2C
SCHEMBL12120939 0.66 GPR84 (0.58) FFAR1GPR84HTR2AHTR2CHTR2B

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
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed