SCHEMBL3659779

SCHEMBL3659779

CCN1CCCC1CNC(=O)c1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.67
ABCG2 Q9UNQ0 1/20 0.66
RAB9A P51151 1/20 0.66
KMT2A Q03164 1/20 0.62
MCHR2 Q969V1 1/20 0.60
MCHR1 Q99705 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
SCHEMBL6014110 0.86 MCHR1 (0.66) DRD2ABCG2KMT2AMCHR2MCHR1
SCHEMBL5470744 0.86 ABCG2 (0.68) DRD2ABCG2KMT2A
SCHEMBL4572920 0.84 DRD2 (0.60) DRD2ABCG2RAB9AKMT2AMCHR2
SCHEMBL4341169 0.83 MCHR1 (0.69) DRD2ABCG2RAB9AKMT2AMCHR2
SCHEMBL17790224 0.81 ROCK2 (0.61) DRD2ABCG2KMT2A
SCHEMBL13060675 0.81 ABCG2 (0.62) DRD2ABCG2KMT2A
SCHEMBL13060816 0.81 ABCG2 (0.62) DRD2ABCG2KMT2A
SCHEMBL18376289 0.81 MAPT (0.73) DRD2ABCG2RAB9AKMT2AMCHR2
SCHEMBL15514290 0.81 DRD2 (1.00) DRD2
SCHEMBL15514289 0.81 DRD2 (1.00) DRD2

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-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed