SCHEMBL5196346

SCHEMBL5196346

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncc1O)CC2

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.77
KCNH2 Q12809 9/20 0.77
CYP2D6 P10635 10/20 0.58
CYP3A4 P08684 6/20 0.58
USP2 O75604 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 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
SCHEMBL5396159 0.87 CCR8 (1.00) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5402076 0.86 CCR8 (0.78) CCR8KCNH2CYP2D6CYP3A4USP2
Hydrochloric Acid SCHEMBL5444699 0.86 CCR8 (0.98) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5193996 0.85 CCR8 (0.73) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5434876 0.85 CCR8 (0.82) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5197706 0.85 CCR8 (0.76) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5390492 0.84 CCR8 (0.84) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5395594 0.84 CCR8 (0.80) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5401997 0.84 CCR8 (1.00) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL4234682 0.83 CCR8 (0.72) CCR8KCNH2CYP2D6CYP3A4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509141-A 2007-04-12 JP claimed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP claimed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO claimed
EP-1869046-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006107252-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed