SCHEMBL6560296

SCHEMBL6560296

FC(F)(F)Oc1ccc2c(c1)C(N1CCN(CCCl)CC1)=Nc1ccccc1O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.60
▸ DRD4 P21917 6/20 0.60
▸ DRD3 P35462 5/20 0.60
▸ CHRM1 P11229 4/20 0.60
▸ HRH4 Q9H3N8 8/20 0.53
▸ ADRA2A P08913 4/20 0.53
▸ HTR2C P28335 3/20 0.53
▸ DRD1 P21728 3/20 0.53
▸ HRH2 P25021 3/20 0.53
▸ HRH1 P35367 3/20 0.53
▸ HTR1A P08908 3/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ ADRB2 P07550 2/20 0.53
▸ CHRM2 P08172 2/20 0.53
▸ CHRM4 P08173 2/20 0.53
▸ CHRM5 P08912 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ ADRA2B P18089 2/20 0.53
▸ ADRA2C P18825 2/20 0.53
▸ CHRM3 P20309 2/20 0.53

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
SCHEMBL6558994 0.91 DRD2 (0.59) DRD2DRD4DRD3CHRM1HRH4
Hydrochloric Acid SCHEMBL7411216 0.86 CHRM1 (0.73) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL10194132 0.74 MEN1 (0.63) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL7411296 0.74 DRD3 (0.76) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL31098210 0.74 HRH4 (0.73) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL10194061 0.74 HTR2C (0.67) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL7412526 0.73 DRD4 (0.49) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL10194134 0.73 MEN1 (0.61) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL19096125 0.73 HRH4 (0.68) DRD2DRD4DRD3CHRM1HRH4
SCHEMBL7407008 0.73 DRD3 (0.55) DRD2DRD4DRD3CHRM1HRH4

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-1252151-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-03-17 — — EP disclosed
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