SCHEMBL29933137

SCHEMBL29933137

COc1ccccc1N1CCC2(CCNCC2)C1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.84
DRD3 P35462 6/20 0.63
CYP2C19 P33261 2/20 0.63
HTR3A P46098 2/20 0.63
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
ADRB1 P08588 1/20 0.63
HTR6 P50406 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
CYP2D6 P10635 4/20 0.54
USP2 O75604 3/20 0.54
HTR7 P34969 2/20 0.50
HTR1A P08908 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 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
SCHEMBL23411580 1.00 DRD2 (0.84) DRD2DRD3CYP2C19HTR3AHTR3E
Hydrochloric Acid SCHEMBL23411057 0.99 DRD2 (0.82) DRD2DRD3CYP2C19HTR3AHTR3E
Hydrochloric Acid SCHEMBL23411056 0.97 DRD2 (0.80) DRD2DRD3CYP2C19HTR3AHTR3E
SCHEMBL23439606 0.80 DRD2 (0.59) DRD2DRD3CYP2C19LMNAUSP2
SCHEMBL6366499 0.78 HTR3A (1.00) DRD2DRD3CYP2C19HTR3AHTR3E
SCHEMBL379 0.78 HTR3A (1.00) DRD2DRD3CYP2C19HTR3AHTR3E
SCHEMBL29396943 0.78 HTR3A (1.00) DRD2DRD3CYP2C19HTR3AHTR3E
SCHEMBL17376349 0.77 DRD2 (0.58) DRD2DRD3CYP2C19HTR3AHTR3E
SCHEMBL23411220 0.77 DRD2 (0.51) DRD2CYP2C19CYP2D6USP2SLC6A2
Hydrochloric Acid SCHEMBL246416 0.77 LMNA (1.00) DRD2DRD3CYP2C19HTR3AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210238-B Substituted aminoquinolones as dgkα inhibitors for immune activation 拜耳公司 2024-08-27 CN disclosed
CN-115210238-A Substituted aminoquinolones as DGK alpha inhibitors for immune activation 拜耳公司 2022-10-18 CN disclosed