SCHEMBL4718944

SCHEMBL4718944

CC(C)(C)C1CC(Oc2ccc(Cl)c(Cl)c2)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.47
CCR3 P51677 20/20 0.47
KCNH2 Q12809 14/20 0.47

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
SCHEMBL14110514 0.87 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL2196095 0.83 OPRK1 (0.39) HRH1CCR3KCNH2
SCHEMBL8530303 0.83 LPL (0.47) KCNH2
SCHEMBL8536867 0.82 CCR5 (0.40)
SCHEMBL28053867 0.81 OPRK1 (0.41) KCNH2
SCHEMBL4101596 0.79 GPR119 (0.53) KCNH2
SCHEMBL5109347 0.79 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL4111964 0.78 APP (0.42)
SCHEMBL4632460 0.78 MAPT (0.36)
SCHEMBL14237503 0.77 KCNH2 (0.36) KCNH2

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-1493743-B1 Substituted bipiperidine intermediates and derivatives thereof ASTRAZENECA AB (SE) 2008-09-03 EP disclosed