SCHEMBL13011978

SCHEMBL13011978

CCc1oc(CCc2cc(N3CCOCC3)cc(NC(C)C#N)n2)nc1C

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 19/20 0.81
KCNH2 Q12809 12/20 0.81

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
SCHEMBL960941 0.83 NPY1R (1.00) NPY1RKCNH2
SCHEMBL964441 0.80 NPY1R (0.81) NPY1RKCNH2
SCHEMBL13688195 0.78 NPY1R (0.73) NPY1RKCNH2
SCHEMBL960822 0.76 KCNH2 (0.77) NPY1RKCNH2
SCHEMBL3413170 0.74 NPY1R (0.67) NPY1RKCNH2
SCHEMBL964373 0.70 NPY1R (1.00) NPY1RKCNH2
SCHEMBL962684 0.67 NPY1R (0.78) NPY1RKCNH2
SCHEMBL960481 0.66 NPY1R (0.64) NPY1RKCNH2
SCHEMBL962168 0.66 NPY1R (0.75) NPY1RKCNH2
SCHEMBL964437 0.65 KCNH2 (0.56) NPY1RKCNH2

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
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed