SCHEMBL9027294

SCHEMBL9027294

COc1c(Cc2c[nH]c3ccc(F)cc23)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 1/20 0.44
MPO P05164 8/20 0.39
TSHR P16473 1/20 0.38
SPR P35270 1/20 0.38
NR3C1 P04150 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NOTUM Q6P988 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL9026223 0.90 PCSK9 (0.39) GPR84HTR2AHTR2CNR3C1HTR1A
SCHEMBL9026430 0.90 GPR84 (0.51) GPR84HTR2AHTR2CTSHRTRPM8
SCHEMBL9026796 0.89 HTR2C (0.44) GPR84HTR2AHTR2CTSHRSPR
SCHEMBL9026518 0.89 GPR84 (0.44) GPR84HTR2AHTR2CTRPM8HTR1A
SCHEMBL9026831 0.89 IDO1 (0.45) GPR84HTR2AHTR2CTRPM8HTR1A
SCHEMBL9025829 0.86 MAPT (0.42) GPR84HTR2AHTR2CTSHRNR3C1
SCHEMBL9027098 0.78 SOS2 (0.43) HTR2ANR3C1AHR
SCHEMBL9027577 0.78 MAPT (0.41) HTR2AHTR2CTSHRHTR1ASLC6A4
SCHEMBL9486584 0.78 AHR (0.40) GPR84HTR2AHTR2CTSHRNR3C1
SCHEMBL9026487 0.77 AHR (0.39) GPR84HTR2AHTR2CHTR1ASLC6A4

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-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed