SCHEMBL8538577

SCHEMBL8538577

O=C1CCC(c2ccc(N(C(=O)O)N3CCc4ccccc4C3)cc2)N1CCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 8/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK1 P28482 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL8540460 0.76 LIPE (0.53) NAMPT
SCHEMBL8542599 0.74 ATM (0.44) SMN1; SMN2KDM4EALDH1A1HSD17B10CHRM2
SCHEMBL8543669 0.71 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1HSD17B10CNR2
SCHEMBL8544484 0.69 CHRM2 (0.41) SMN1; SMN2KDM4EALDH1A1HSD17B10CHRM2
SCHEMBL8539645 0.69 ALDH1A1 (0.50) SMN1; SMN2KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL8538321 0.68 RXFP1 (0.48) SMN1; SMN2KDM4EALDH1A1HSD17B10CHRM2
SCHEMBL8540839 0.68 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL9289082 0.67 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL8589735 0.67 CHRM2 (0.42) SMN1; SMN2KDM4EALDH1A1HSD17B10CHRM2
SCHEMBL8544896 0.66 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1HSD17B10CNR2

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