SCHEMBL28617610

SCHEMBL28617610

CCCCCc1cc2ccccc2n1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
OPRM1 P35372 5/20 0.47
OPRD1 P41143 5/20 0.47
OPRK1 P41145 5/20 0.47
OPRL1 P41146 5/20 0.47
OXER1 Q8TDS5 9/20 0.46
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.39

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 0.99 OPRM1 (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL28623404 0.96 OPRM1 (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL28623424 0.93 OPRM1 (0.53) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL27969484 0.75 ABCB1 (0.45) SMN1; SMN2OPRM1OPRD1OPRK1OPRL1
SCHEMBL28223276 0.74 OXER1 (0.53) OXER1
SCHEMBL27739489 0.74 TP53 (0.46) ALDH1A1MAPTSMN1; SMN2NPSR1OPRM1
SCHEMBL3696937 0.73 OXER1 (0.54) OXER1
SCHEMBL14387000 0.72 OXER1 (0.54) ALDH1A1SMN1; SMN2OXER1
SCHEMBL3847993 0.72 OXER1 (0.51) OXER1TP53
SCHEMBL5364158 0.71 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1TP53

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