SCHEMBL20042736

SCHEMBL20042736

Cc1nc2c(c(N3CCC3)n1)[C@@H](C)NC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.36
GUSB P08236 1/20 0.34
CHRM3 P20309 4/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 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
SCHEMBL20042874 1.00 NPY5R (0.36) NPY5RGUSBCHRM3PDE4APDE4B
SCHEMBL31614807 0.91 MAP2K7 (0.32) NPY5RGUSBSMN1; SMN2PDK2PDK4
SCHEMBL31614998 0.91 MAP2K7 (0.32) NPY5RGUSBSMN1; SMN2PDK2PDK4
SCHEMBL20042895 0.81 NPY5R (0.35) NPY5RGUSBCHRM3PDE4APDE4B
SCHEMBL20042731 0.81 CHRM3 (0.51) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20042984 0.81 NPY5R (0.35) NPY5RHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL20042890 0.75 NPY5R (0.36) NPY5RGUSBCHRM3PDE4APDE4B
SCHEMBL20042907 0.73 NPY5R (0.37) NPY5RGUSBCHRM3PDE4APDE4B
SCHEMBL31614818 0.69 NPY5R (0.39) NPY5RCHRM3PDE4APDE4BPDE4C
SCHEMBL20042683 0.69 NPY5R (0.39) NPY5RCHRM3PDE4APDE4BPDE4C

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
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed