SCHEMBL20042683

SCHEMBL20042683

Cc1nc2c(c(N3CCC3)n1)CNC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.39
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.35
MTOR P42345 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PSD A5PKW4 1/20 0.33
MAP2K7 O14733 1/20 0.33

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
SCHEMBL31614818 1.00 NPY5R (0.39) NPY5RMAPK1HSD17B10L3MBTL1MEN1
Hydrochloric Acid SCHEMBL31614730 0.98 MEN1 (0.39) NPY5RMAPK1HSD17B10L3MBTL1MEN1
Hydrochloric Acid SCHEMBL31405518 0.98 MEN1 (0.39) NPY5RMAPK1HSD17B10L3MBTL1MEN1
SCHEMBL22727886 0.85 MTOR (0.47) NPY5RMAPK1HSD17B10MTORMAP2K7
SCHEMBL4480611 0.81 NPY5R (0.41) NPY5RMAPK1HSD17B10L3MBTL1MEN1
SCHEMBL20042881 0.81 HRH1 (0.41) HSD17B10L3MBTL1MTORSMN1; SMN2PDE4A
SCHEMBL20042777 0.79 HRH4 (0.38) NPY5R
SCHEMBL20042813 0.79 HTR2C (0.37) MTORSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL20042692 0.79 MTOR (0.37) NPY5RHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL31615106 0.79 MTOR (0.37) NPY5RHSD17B10L3MBTL1MEN1KMT2A

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