SCHEMBL21802508

SCHEMBL21802508

COc1cc(N2CCOCC2)ccc1CN1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KCNJ1 P48048 1/20 0.47
HTR7 P34969 1/20 0.47
POLB P06746 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 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
SCHEMBL21802540 0.86 MGLL (0.48) KCNJ1
SCHEMBL21802553 0.85 MAPT (0.53) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL15100777 0.84 MGLL (0.66)
SCHEMBL15265250 0.84 MGLL (0.43) KDM4EALDH1A1GAATDP1SMN1; SMN2
SCHEMBL21802541 0.82 CYP2A13 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15265357 0.82 RORC (0.48) ALDH1A1MEN1KMT2A
SCHEMBL21802523 0.82 MGLL (0.44) ALDH1A1GAASMN1; SMN2HTR7POLB
SCHEMBL21802528 0.80 FAAH (0.56) KDM4EALDH1A1MEN1KMT2A
SCHEMBL13634389 0.79 MEN1 (0.52) KDM4EALDH1A1GAATDP1POLB
SCHEMBL19086425 0.78 KDM4E (0.61) KDM4EALDH1A1GAATDP1SMN1; SMN2

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-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 EP claimed