SCHEMBL29104136

SCHEMBL29104136

Cc1ccc2c(c1)c(C1CCCCC1=O)cn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SRC P12931 2/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SIRT1 Q96EB6 1/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
RORC P51449 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL29104121 0.90 SCN9A (0.40) KDM4ESRCDRD2SLC6A4CNR1
SCHEMBL29104115 0.86 GSK3B (0.43) HSD17B10DRD2SLC6A4CNR1KMT2A
SCHEMBL7848407 0.86 DRD2 (0.51) KDM4EDRD2SLC6A4ALDH1A1RORC
SCHEMBL29104126 0.86 KMT2A (0.39) KDM4EUSP2HSD17B10DRD2SLC6A4
SCHEMBL29104149 0.84 MTNR1A (0.43)
SCHEMBL6637786 0.83 SLC6A4 (0.50) SLC6A4CNR1RORC
SCHEMBL28544938 0.82 LMNA (0.48) KDM4EUSP2HSD17B10RAB9AALDH1A1
SCHEMBL15712564 0.79 DRD2 (0.50) DRD2SLC6A4RORCSCN5ASCN9A
SCHEMBL29104137 0.78 SCN9A (0.39) KDM4EDRD2SLC6A4CNR1ALDH1A1
SCHEMBL29104142 0.78 DRD2 (0.51) KDM4EDRD2SLC6A4ALDH1A1RORC

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-117003738-A Imidazole spiro compound and synthesis method thereof 湘潭大学 2023-11-07 CN claimed
CN-117003738-A Imidazole spiro compound and synthesis method thereof 湘潭大学 2023-11-07 CN disclosed