SCHEMBL24722707

SCHEMBL24722707

CCc1cnc2c(c1)CCC(CN)C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
CRBN Q96SW2 5/20 0.33
DDB1 Q16531 4/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NNMT P40261 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL13662104 0.75 CRBN (0.48) CRBN
SCHEMBL10290326 0.74 NNMT (0.37) CRBNDDB1NNMTSMYD3
SCHEMBL24722687 0.72 CRBN (0.34) CRBN
SCHEMBL8351361 0.70 ABL1 (0.54) CRBNSMYD3
SCHEMBL23189285 0.69 NNMT (0.38) NNMTHTR2AHTR2CHTR2B
SCHEMBL13662132 0.69 KDM4E (0.36) CRBNGAAKMT2A
SCHEMBL22900729 0.68 NNMT (0.34) NNMT
SCHEMBL24722688 0.68 CRBN (0.33) CRBN
SCHEMBL91417 0.67 NNMT (0.49) NNMTHTR2AHTR2CHTR2B
SCHEMBL24723535 0.66 SMYD3 (0.36) HTTCRBNDDB1POLBNNMT

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-2022187329-A1 FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-09 WO disclosed