SCHEMBL27751691

SCHEMBL27751691

O=C(O)C(Cc1ccccc1)N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.65
CCR3 P51677 14/20 0.65
KCNH2 Q12809 4/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 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
SCHEMBL14110626 1.00 HRH1 (0.65) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL4155971 0.89 CCR3 (0.57) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL18841150 0.79 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841143 0.78 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL14110643 0.78 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180326 0.77 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180245 0.76 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841157 0.76 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841145 0.75 HRH1 (0.87) HRH1CCR3KCNH2
SCHEMBL180183 0.75 HRH1 (1.00) HRH1CCR3KCNH2

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
CN-100460391-C Chemical compounds. ASTRAZENECA AB (SE) 2009-02-11 CN disclosed