SCHEMBL6558994

SCHEMBL6558994

OCCN1CCN(C2=Nc3ccccc3Oc3ccc(OC(F)(F)F)cc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.59
▸ DRD3 P35462 6/20 0.59
▸ DRD4 P21917 6/20 0.59
▸ CHRM1 P11229 5/20 0.59
▸ HRH4 Q9H3N8 7/20 0.49
▸ HTR2C P28335 5/20 0.49
▸ ADRA2A P08913 4/20 0.49
▸ DRD1 P21728 4/20 0.49
▸ HRH2 P25021 4/20 0.49
▸ HRH1 P35367 4/20 0.49
▸ CHRM2 P08172 3/20 0.49
▸ CHRM4 P08173 3/20 0.49
▸ HTR1A P08908 3/20 0.49
▸ CHRM5 P08912 3/20 0.49
▸ ADRA2B P18089 3/20 0.49
▸ ADRA2C P18825 3/20 0.49
▸ CHRM3 P20309 3/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ HTR7 P34969 3/20 0.49
▸ ADRA1A P35348 3/20 0.49

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
SCHEMBL6560296 0.91 DRD2 (0.60) DRD2DRD3DRD4CHRM1HRH4
Hydrochloric Acid SCHEMBL7411216 0.85 CHRM1 (0.73) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL7412526 0.82 DRD4 (0.49) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL4194509 0.82 HRH4 (0.69) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL7407008 0.82 DRD3 (0.55) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL31098210 0.81 HRH4 (0.73) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL3840090 0.79 HRH4 (0.52) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL7416406 0.76 DRD3 (0.54) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL10194132 0.76 MEN1 (0.63) DRD2DRD3DRD4CHRM1HRH4
SCHEMBL3834180 0.75 HRH4 (0.73) DRD2DRD3DRD4CHRM1HRH4

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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