SCHEMBL2922375

SCHEMBL2922375

O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2[nH]cnc2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.66
CCR3 P51677 20/20 0.66
KCNH2 Q12809 14/20 0.66
CCR1 P32246 1/20 0.60

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
SCHEMBL2921487 0.87 HRH1 (0.69) HRH1CCR3KCNH2CCR1
SCHEMBL2925087 0.85 HRH1 (0.68) HRH1CCR3KCNH2CCR1
SCHEMBL2924456 0.84 HRH1 (0.70) HRH1CCR3KCNH2CCR1
SCHEMBL2921076 0.83 HRH1 (0.71) HRH1CCR3KCNH2CCR1
SCHEMBL2924354 0.83 HRH1 (0.67) HRH1CCR3KCNH2CCR1
SCHEMBL2914965 0.83 HRH1 (0.66) HRH1CCR3KCNH2CCR1
SCHEMBL2916795 0.83 HRH1 (0.66) HRH1CCR3KCNH2CCR1
SCHEMBL2920653 0.83 HRH1 (0.72) HRH1CCR3KCNH2CCR1
SCHEMBL2922136 0.83 HRH1 (0.70) HRH1CCR3KCNH2CCR1
SCHEMBL13177118 0.82 HRH1 (0.66) HRH1CCR3KCNH2CCR1

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-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed