SCHEMBL29429015

SCHEMBL29429015

CCCCCCCCC(=O)COC(=O)[13c]1cc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 5/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL5935742 0.85 GPR84 (0.58) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL6533183 0.83 DRD2 (0.58) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL5289613 0.82 DRD2 (0.59) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL7169528 0.79 KDM4E (0.61) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL4454538 0.79 DRD2 (0.62) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL42002 0.79 KDM4E (0.78) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL29580772 0.79 KDM4E (0.78) DRD2DRD3KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL16115604 0.77 KDM4E (0.76) DRD2DRD3KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL9036642 0.77 KDM4E (0.76) DRD2DRD3KDM4EHPGDALDH1A1
SCHEMBL14387202 0.74 MTNR1A (0.52) DRD2DRD3ALDH1A1LMNARAB9A

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-114057623-A N-naphthyl indole derivative and synthetic method thereof 湖南第一师范学院 2022-02-18 CN disclosed