SCHEMBL8544484

SCHEMBL8544484

O=C1CCC(c2cc[c]cc2)N1CCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAP1LC3B Q9GZQ8 3/20 0.35
ACHE P22303 1/20 0.34
CNR2 P34972 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
CNR1 P21554 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8589735 0.86 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8542599 0.84 ATM (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8539645 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHSD17B10
SCHEMBL8538321 0.78 RXFP1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8543669 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EHSD17B10CNR2
SCHEMBL8539565 0.75 MEN1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8540839 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHSD17B10
SCHEMBL8587104 0.74 L3MBTL3 (0.39) ALDH1A1L3MBTL3
SCHEMBL9289082 0.72 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2L3MBTL1KDM4ECNR2
SCHEMBL8544896 0.71 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10CNR2

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
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed