SCHEMBL28217066

SCHEMBL28217066

CCC(CN)N(C)C(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.47
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
ACHE P22303 8/20 0.41
BCHE P06276 5/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL9623297 0.91 NPY5R (0.51) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28825806 0.85 NPY5R (0.48) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5370760 0.80 NPY5R (0.57) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11073998 0.79 ATM (0.50) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5804088 0.78 NPY5R (0.49) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3475218 0.75 NPY5R (0.59) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28050440 0.75 NPY5R (0.52) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28050443 0.75 NPY5R (0.52) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28050399 0.75 NPY5R (0.52) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4924150 0.74 NPY5R (0.51) NPY5RRAB9AALDH1A1NPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108434149-A For the regulated treatments of HSPC of Rb positive abnormal cell proliferations G1治疗公司 2018-08-24 CN disclosed
CN-105407889-B HSPC-sparing therapy for Rb-positive abnormal cell proliferation G1治疗公司 2018-06-01 CN disclosed