SCHEMBL29951749

SCHEMBL29951749

OB(O)c1cnc(N2CCOCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CNR2 P34972 7/20 0.43
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
KMO O15229 1/20 0.40

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
SCHEMBL29958150 0.84 UBE2T (0.45) ALDH1A1CNR2MAPTLMNASMN1; SMN2
SCHEMBL29952578 0.82 UBE2T (0.44) ALDH1A1CNR2CYP1A2MAPTHPGD
SCHEMBL15332124 0.79 HRH4 (0.45) SMN1; SMN2RAB9A
SCHEMBL2556957 0.77 MAPT (0.44) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL2562752 0.76 KDM4E (0.43) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL19859753 0.75 POLB (0.51) ALDH1A1CNR2CYP1A2MAPTHPGD
SCHEMBL29586304 0.75 ALDH1A1 (0.54) ALDH1A1CNR2CYP1A2MAPTCYP2C9
SCHEMBL29953385 0.75 ALDH1A1 (0.40) ALDH1A1CNR2CYP1A2MAPTCYP2C9
SCHEMBL9147 0.75 ALDH1A1 (0.54) ALDH1A1CNR2CYP1A2MAPTCYP2C9
SCHEMBL29952920 0.75 POLB (0.51) ALDH1A1CNR2CYP1A2MAPTHPGD

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed