SCHEMBL29039792

SCHEMBL29039792

COc1cc2c3c(c1O)-c1cc(O)ccc1CC3NCC2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.81
KDM4E B2RXH2 5/20 0.80
ALDH1A1 P00352 5/20 0.80
HPGD P15428 5/20 0.80
HSD17B10 Q99714 4/20 0.80
DRD1 P21728 4/20 0.58
HTR2C P28335 3/20 0.58
PTPRCAP Q14761 1/20 0.58
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD5 P21918 1/20 0.49
HTR2A P28223 1/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49

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
SCHEMBL23949488 0.90 DRD2 (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL563496 0.90 DRD2 (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9976810 0.88 DRD2 (0.63) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30029891 0.87 HTR2C (0.77) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29506718 0.87 HTR2C (0.77) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27850407 0.85 ALDH1A1 (0.69) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11055620 0.85 ALDH1A1 (0.69) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29398835 0.85 ALDH1A1 (0.69) DRD2KDM4EALDH1A1HPGDHSD17B10
Norcorydine SCHEMBL31504460 0.82 DRD2 (0.69) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31029778 0.81 KDM4E (0.70) DRD2KDM4EALDH1A1HPGDHSD17B10

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
CN-116478941-A CYP80G protein and application of encoding gene thereof in catalysis of synthesis of lotus leaf aporphine alkaloids 中国中医科学院中药研究所 2023-07-25 CN disclosed