SCHEMBL5132871

SCHEMBL5132871

CCC(CC)C(=O)Nc1ccc(N2CCN(C(CC)(CC)C(C(N)=O)c3ccccc3)CC2)c(C#N)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 17/20 0.43
KCNQ2 O43526 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNQ3 O43525 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
KCNQ4 P56696 1/20 0.37

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
SCHEMBL5132876 0.78 NPY2R (0.45) NPY2RADORA2AADORA1
SCHEMBL5077949 0.78 NPY2R (0.70) NPY2R
SCHEMBL5132874 0.76 NPY2R (0.53) NPY2RKCNQ2KCNQ3CYP1A2CYP3A4
SCHEMBL5132872 0.73 NPY2R (0.53) NPY2R
SCHEMBL5132895 0.71 NPY2R (0.61) NPY2R
SCHEMBL5128104 0.71 NPY2R (0.63) NPY2R
SCHEMBL5077991 0.66 NPY2R (0.73) NPY2R
SCHEMBL7607333 0.65 NPY2R (0.68) NPY2R
SCHEMBL3659504 0.63 NPY2R (0.78) NPY2R
SCHEMBL7599325 0.63 NPY2R (0.67) NPY2R

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-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US claimed