SCHEMBL28528876

SCHEMBL28528876

OC(Cc1c[nH]c2ccccc12)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.54
ADRB1 P08588 5/20 0.54
ADRB2 P07550 3/20 0.54
GPR84 Q9NQS5 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47

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
SCHEMBL28519199 0.85 SMN1; SMN2 (0.55) ADRB1GPR84SMN1; SMN2HTR1AADRA2A
SCHEMBL26084592 0.84 HTR2A (0.55) ADRB3ADRB1ADRB2GPR84HTR1A
SCHEMBL23100717 0.79 ITGB2 (0.54) SMN1; SMN2ITGB2ICAM1ITGALKDM4E
SCHEMBL23100719 0.79 ITGB2 (0.54) SMN1; SMN2ITGB2ICAM1ITGALKDM4E
SCHEMBL28547399 0.78 CDK4 (0.48) ADRB1GPR84SMN1; SMN2HTR1AADRA2A
SCHEMBL28547398 0.78 CDK4 (0.48) ADRB1GPR84SMN1; SMN2HTR1AADRA2A
SCHEMBL9279873 0.74 SMN1; SMN2 (0.68) ADRB1GPR84SMN1; SMN2HTR1AADRA2A
SCHEMBL30911955 0.74 SSTR3 (0.58) SMN1; SMN2MAPTPOLBTSHR
SCHEMBL28528875 0.73 MGAM (0.51) GPR84SMN1; SMN2SLC6A2SLC6A4MAPT
SCHEMBL7214546 0.73 CNR2 (0.53) SLC6A2SLC6A4MEN1KMT2A

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
CN-112250614-B Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2022-02-01 CN disclosed
CN-112250614-A Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2021-01-22 CN disclosed