SCHEMBL4740558

SCHEMBL4740558

CN1C(=O)C(c2ccc(F)c(Br)c2)(c2ccc3c(c2)CCCO3)NC1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.35
NOTUM Q6P988 1/20 0.33
BACE1 P56817 4/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2B Q7LG56 1/20 0.33
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
ABCC9 O60706 3/20 0.32
ABCC8 Q09428 3/20 0.32
KCNJ11 Q14654 3/20 0.32
KCNJ8 Q15842 3/20 0.32
TRIM24 O15164 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL4740565 0.95 BACE1 (0.36) CNR1BACE1CTSDBACE2ABCC9
SCHEMBL4517752 0.85 CNR1 (0.38) CNR1NOTUMBACE1CTNNB1WNT3A
SCHEMBL4738661 0.85 PKM (0.38) CNR1BACE1TRIM24BRD1BRPF1
SCHEMBL4734518 0.82 CNR1 (0.35) CNR1BACE1CTSDABCC9ABCC8
SCHEMBL4738375 0.81 CNR1 (0.34) CNR1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4511507 0.80 BACE1 (0.42) CNR1BACE1CTSDBACE2CLK1
SCHEMBL4786160 0.80 CNR1 (0.38) CNR1BACE1ABCC9ABCC8KCNJ11
SCHEMBL4785590 0.80 CNR1 (0.38) CNR1NOTUMBACE1
SCHEMBL4520613 0.79 BACE1 (0.43) CNR1BACE1CTSDBACE2CLK1
SCHEMBL4732724 0.79 CNR1 (0.47) CNR1ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed