SCHEMBL23949488

SCHEMBL23949488

COc1cc2c3c(c1OC)-c1cc(O)ccc1CC3NCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 1.00
KDM4E B2RXH2 2/20 0.98
ALDH1A1 P00352 2/20 0.98
HPGD P15428 2/20 0.98
HSD17B10 Q99714 1/20 0.98
DRD1 P21728 5/20 0.73
HTR2C P28335 3/20 0.73
PTPRCAP Q14761 1/20 0.73
DYRK1A Q13627 1/20 0.54
ADRB2 P07550 3/20 0.52
HTR1A P08908 3/20 0.52
HTR7 P34969 2/20 0.52
HTR2B P41595 2/20 0.52
HTR6 P50406 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRB3 P13945 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52

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
SCHEMBL563496 1.00 DRD2 (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29039792 0.90 DRD2 (0.81) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9976807 0.86 DRD1 (0.76) DRD2KDM4EALDH1A1HPGDHSD17B10
Laurotetanine SCHEMBL905065 0.85 DRD2 (0.74) DRD2KDM4EALDH1A1HPGDHSD17B10
Laurotetanine SCHEMBL905125 0.85 DRD2 (0.74) DRD2KDM4EALDH1A1HPGDHSD17B10
Laurotetanine SCHEMBL31300083 0.85 DRD2 (0.74) DRD2KDM4EALDH1A1HPGDHSD17B10
Nornuciferine SCHEMBL29787894 0.85 HTR2C (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
Nornuciferine SCHEMBL29501026 0.85 HTR2C (1.00) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30298991 0.83 DRD2 (0.71) DRD2KDM4EALDH1A1HPGDHSD17B10
Norcorydine SCHEMBL31504460 0.81 DRD2 (0.69) 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
WO-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 WO disclosed