SCHEMBL9049248

SCHEMBL9049248

O=C1c2ccccc2OCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.71
DRD3 P35462 6/20 0.71
DRD5 P21918 4/20 0.71
DRD1 P21728 2/20 0.67
HTR1A P08908 6/20 0.60
HTR2A P28223 6/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR7 P34969 9/20 0.59
HTR6 P50406 4/20 0.59
SIGMAR1 Q99720 1/20 0.57

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
Hydrochloric Acid SCHEMBL9587355 0.99 DRD2 (0.69) DRD2DRD3DRD5DRD1HTR1A
SCHEMBL9045178 0.94 DRD3 (0.62) DRD2DRD3DRD5DRD1HTR1A
SCHEMBL9048535 0.85 HTR1A (0.65) DRD2DRD3DRD5HTR1AHTR2A
SCHEMBL9369051 0.85 DRD2 (0.63) DRD2DRD3DRD5DRD1HTR1A
SCHEMBL9049049 0.83 HTR1A (0.61) DRD2DRD3DRD5HTR1AHTR2A
SCHEMBL21802017 0.81 HTR7 (0.76) DRD2DRD3DRD5DRD1HTR1A
SCHEMBL9047785 0.81 HTR2C (0.51) DRD2DRD3DRD5DRD1HTR1A
SCHEMBL9048565 0.79 KCNH2 (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL10836050 0.79 HTR7 (0.72) DRD2DRD3DRD5DRD1HTR1A
SCHEMBL9047511 0.79 HTR1A (0.54) DRD2DRD3DRD5HTR1AHTR2A

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
EP-0527081-B1 Substituted 3-piperazinylalkyl-2,3-dihydro-4H-1,3-benzoxazine-4-ones, their preparation and their therapeutical use PF MEDICAMENT (FR) 1996-01-03 EP claimed