SCHEMBL5040087

SCHEMBL5040087

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)O)CC4)c2O1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 11/20 0.68
KCNH2 Q12809 11/20 0.68
SSTR5 P35346 1/20 0.48
CYP2D6 P10635 5/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4234882 0.86 CCR8 (0.76) CCR8KCNH2CYP2D6TSHRALDH1A1
SCHEMBL4234460 0.86 CCR8 (0.62) CCR8KCNH2SSTR5CYP2D6TSHR
SCHEMBL4237303 0.85 CCR8 (0.64) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL4233164 0.85 CCR8 (0.64) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL4237135 0.85 CCR8 (0.76) CCR8KCNH2SSTR5CYP2D6TSHR
SCHEMBL4239411 0.84 CCR8 (0.65) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL4234438 0.84 CCR8 (0.76) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL4234755 0.84 CCR8 (0.62) CCR8KCNH2SSTR5CYP2D6ALDH1A1
SCHEMBL4234388 0.83 CCR8 (0.69) CCR8KCNH2CYP2D6TSHRALDH1A1
SCHEMBL4242437 0.83 CCR8 (0.67) CCR8KCNH2SSTR5CYP2D6TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed