SCHEMBL30871998

SCHEMBL30871998

COc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.59
DRD3 P35462 2/20 0.59
DRD2 P14416 3/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.53
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MMP12 P39900 1/20 0.51
PKM P14618 3/20 0.51
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL1494348 1.00 DRD4 (0.59) DRD4DRD3DRD2POLBKDM4E
SCHEMBL6301419 0.91 DRD4 (0.58) DRD4DRD3DRD2POLBKDM4E
SCHEMBL705600 0.87 MAPT (0.64) DRD4DRD2POLBKDM4EALDH1A1
SCHEMBL6297491 0.84 KIF11 (0.58) DRD4DRD3DRD2POLBKDM4E
SCHEMBL15964652 0.84 PDE3B (0.50) DRD4DRD3DRD2POLBKDM4E
SCHEMBL5667155 0.82 POLB (0.47) DRD4DRD3DRD2POLBKDM4E
SCHEMBL7474881 0.81 MAPT (0.47) DRD4DRD2POLBKDM4EALDH1A1
SCHEMBL6757684 0.80 KIF11 (0.50) DRD4DRD3DRD2PDE3BPDE3A
SCHEMBL13932053 0.80 MAPT (0.57) DRD4DRD3DRD2POLBKDM4E
SCHEMBL4271342 0.80 MAPT (0.57) DRD4DRD3DRD2POLBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299464-A1 BOTANICAL COMPOUNDS, METHODS, AND PROCEDURES FOR MEDICINAL TREATMENT RELATED TO IMMUNOINFLAMMATION, NEUROINFLAMMATION, DEPRESSION, MEMORY, FOCUS, AND NERVE DEGENERATION NGUYEN MINH H (US) 2024-09-12 US disclosed
WO-2024173722-A2 BOTANICAL COMPOUNDS, METHODS, AND PROCEDURES FOR MEDICINAL TREATMENT RELATED TO IMMUNOINFLAMMATION, NEUROINFLAMMATION, DEPRESSION, MEMORY, FOCUS, AND NERVE DEGENERATION NGUYEN MINH H (US) 2024-08-22 WO disclosed
CN-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed