SCHEMBL23595995

SCHEMBL23595995

C[C@]1(NCCO)CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.31
SLC6A4 P31645 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
OPRK1 P41145 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN2B Q13224 1/20 0.30
CACNA1C Q13936 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL23595536 0.84 LMNA (0.39) LMNATSHRPOLBSLC6A4GRIN1
SCHEMBL23595640 0.79 LMNA (0.33) LMNATSHRHTTSMN1; SMN2GRIN1
SCHEMBL23595660 0.72 GRIN1 (0.42) LMNATSHRPOLBSLC6A4GRIN1
SCHEMBL8186821 0.69
SCHEMBL23596012 0.69 SLC6A4 (0.33) LMNATSHRPOLBSLC6A4GRIN1
SCHEMBL23579620 0.69 HTT (0.52) LMNATSHRHTTSMN1; SMN2SLC6A4
SCHEMBL23595877 0.69 HTT (0.52) LMNATSHRHTTSMN1; SMN2SLC6A4
SCHEMBL23579114 0.69 HTT (0.52) LMNATSHRHTTSMN1; SMN2SLC6A4
Hydrochloric Acid SCHEMBL23579222 0.68 HTT (0.51) LMNATSHRHTTSMN1; SMN2SLC6A4
SCHEMBL10576162 0.67 EED (0.37) LMNATSHRPOLBSLC6A4GRIN1

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
WO-2021134086-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2021-07-01 WO disclosed