SCHEMBL13960741

SCHEMBL13960741

CB(O)N1CCN(c2cccc(CN3C(=O)CCCc4ccccc43)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
POLB P06746 3/20 0.47
DRD2 P14416 8/20 0.44
DRD4 P21917 8/20 0.44
DRD3 P35462 8/20 0.44
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRB1 P08588 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1D P25100 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
SCHEMBL4477912 0.82 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14202129 0.81 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13960709 0.80 DRD2 (0.50) POLBDRD2DRD4DRD3ADRB2
SCHEMBL4477967 0.80 MEN1 (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4468502 0.76 POLB (0.60) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30905277 0.74 POLB (0.82) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4476360 0.73 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL9186295 0.69 MEN1 (0.77) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL31651583 0.68 DRD2 (0.84) DRD2DRD4DRD3ADRB2CHRM2
SCHEMBL26117575 0.68 DRD2 (0.84) DRD2DRD4DRD3ADRB2CHRM2

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
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed