SCHEMBL6598499

SCHEMBL6598499

C1CCC1.O=C(O)Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.81
CCR3 P51677 16/20 0.81
CCR1 P32246 2/20 0.81
KCNH2 Q12809 9/20 0.52
DRD2 P14416 4/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 3/20 0.52

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
Cyclohexane SCHEMBL6598467 1.00 HRH1 (0.81) HRH1CCR3CCR1KCNH2DRD2
Cyclopentane SCHEMBL6598773 1.00 HRH1 (0.81) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075194 0.91 HRH1 (0.78) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6074255 0.90 HRH1 (0.80) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL18841190 0.90 HRH1 (1.00) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075302 0.89 HRH1 (0.75) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075311 0.89 HRH1 (0.75) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6074823 0.89 HRH1 (0.78) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075260 0.88 HRH1 (0.77) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075050 0.87 HRH1 (0.75) HRH1CCR3CCR1KCNH2DRD2

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-1299356-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-11 EP claimed