SCHEMBL5591971

SCHEMBL5591971

CC(CC=O)(c1ccccc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KCNA5 P22460 2/20 0.38
POLB P06746 1/20 0.37
CYP2B6 P20813 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.35
TACR3 P29371 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
SCHEMBL11541844 0.74 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL2696963 0.73 CYP2B6 (0.66) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL18901958 0.73 OPRM1 (0.44) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL11541847 0.70 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL3312757 0.70 SMN1; SMN2 (0.58) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL12613218 0.70 ALDH1A1 (0.42) SMN1; SMN2GAAALDH1A1LMNAPOLB
SCHEMBL8904963 0.69 LMNA (0.48) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL435727 0.69 LMNA (0.48) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL26162956 0.67 GAA (0.42) SMN1; SMN2GAAALDH1A1LMNAOPRM1
SCHEMBL9340359 0.67 CYP2C19 (0.42) ALDH1A1LMNAMEN1KMT2ACYP3A4

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-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed