SCHEMBL30801469

SCHEMBL30801469

CCOC(=O)C1(N)Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
OPRM1 P35372 6/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MPI P34949 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3306445 1.00 BRD4 (0.51) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL8842075 0.89 BRD4 (0.46) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4835670 0.86 OPRM1 (0.50) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL18664545 0.84 OPRM1 (0.42) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL3501478 0.84 BRD4 (0.41) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL3308150 0.83 KDM4E (0.40) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL13328493 0.82 BRD4 (0.40) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL3304544 0.82 BRD4 (0.40) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL7301462 0.82 BRD4 (0.54) BRD4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL3305558 0.82 OPRM1 (0.44) OPRM1TSHRLMNAMEN1KMT2A

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
CN-117551037-A Compounds as succinate dehydrogenase inhibitors and uses thereof 华东理工大学 2024-02-13 CN disclosed