SCHEMBL3414360

SCHEMBL3414360

Cc1nc(SCc2cc(N3CCOCC3)cc(N)n2)sc1C

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.67
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
KCNH2 Q12809 1/20 0.41
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.37
GAA P10253 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
SCHEMBL3412003 0.87 NPY1R (0.67) NPY1RKCNH2PKMSMN1; SMN2
SCHEMBL965504 0.81 NPY1R (1.00) NPY1RKCNH2
SCHEMBL13011690 0.80 NPY1R (0.45) NPY1RPKM
SCHEMBL960229 0.79 NPY1R (0.67) NPY1RNOS3NOS1KCNH2
SCHEMBL13688170 0.77 NPY1R (0.41) NPY1RNOS3NOS1GAA
SCHEMBL962875 0.76 NPY1R (0.64) NPY1RKCNH2
SCHEMBL111777 0.70 NPY1R (0.49) NPY1RKCNH2PKMSMN1; SMN2MAPT
SCHEMBL5789968 0.69 CRHBP (0.57) NOS3NOS1MAPTGAA
SCHEMBL27760246 0.69 NOS3 (0.51) NPY1RNOS3NOS1KCNH2SMN1; SMN2
SCHEMBL4208711 0.68 NPY1R (0.46) NPY1R

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