SCHEMBL9026430

SCHEMBL9026430

COc1ccc2[nH]cc(Cc3[nH]c(=O)c(CC(C)C)[n+]([O-])c3OC)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.51
HTR2A P28223 3/20 0.48
HTR2B P41595 2/20 0.48
HTR1A P08908 2/20 0.48
HTR2C P28335 2/20 0.48
AHR P35869 2/20 0.47
MTNR1B P49286 5/20 0.47
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
HTR4 Q13639 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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) GPR84HTR2AHTR2BHTR1AHTR2C
SCHEMBL9026831 0.90 IDO1 (0.45) GPR84HTR2AHTR2BHTR1AHTR2C
SCHEMBL9026518 0.90 GPR84 (0.44) GPR84HTR2AHTR2BHTR1AHTR2C
SCHEMBL9027294 0.90 GPR84 (0.44) GPR84HTR2AHTR1AHTR2CAHR
SCHEMBL9026796 0.90 HTR2C (0.44) GPR84HTR2AHTR2BHTR1AHTR2C
SCHEMBL9025829 0.87 MAPT (0.42) GPR84HTR2AHTR2BHTR1AHTR2C
SCHEMBL9026919 0.83 AKR1C2 (0.45) HTR2AHTR1AHTR2CMTNR1BKDM4E
SCHEMBL9027098 0.79 SOS2 (0.43) HTR2AAHRMAPTNPSR1
SCHEMBL9486584 0.78 AHR (0.40) GPR84HTR2AHTR2BHTR1AHTR2C
SCHEMBL9027577 0.78 MAPT (0.41) HTR2AHTR2BHTR1AHTR2CKDM4E

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
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