SCHEMBL28623404

SCHEMBL28623404

CCCCCc1cc2ccccc2n1C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.48
OPRD1 P41143 10/20 0.48
OPRK1 P41145 10/20 0.48
OPRL1 P41146 10/20 0.48
OXER1 Q8TDS5 9/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28613180 0.97 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1OXER1
SCHEMBL28617610 0.96 ALDH1A1 (0.47) OPRM1OPRD1OPRK1OPRL1OXER1
SCHEMBL28623424 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1OXER1
SCHEMBL28223276 0.75 OXER1 (0.53) OXER1
SCHEMBL3696937 0.74 OXER1 (0.54) OXER1
SCHEMBL14387000 0.74 OXER1 (0.54) OXER1ALDH1A1SMN1; SMN2
SCHEMBL3847993 0.73 OXER1 (0.51) OXER1
SCHEMBL5364158 0.72 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5706422 0.71 OXER1 (0.47) OXER1MAPK1NPSR1
SCHEMBL14386995 0.71 OXER1 (0.54) OXER1

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-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed