SCHEMBL22650564

SCHEMBL22650564

CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc(N)nc3)C(=O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
GPR119 Q8TDV5 5/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PTPN11 Q06124 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL21112108 0.86 GPR119 (0.52) HRH3GPR119ALDH1A1EGFRMAPT
SCHEMBL30643674 0.86 GPR119 (0.52) HRH3GPR119ALDH1A1EGFRMAPT
SCHEMBL27095193 0.84 GPR119 (0.52) HRH3GPR119ALDH1A1EGFRMAPT
SCHEMBL26641265 0.83 GPR119 (0.46) HRH3GPR119ALDH1A1PTPN11MAPT
SCHEMBL20037632 0.83 MAPT (0.43) HRH3GPR119ALDH1A1ALOX5APFEN1
SCHEMBL255485 0.82 MAPT (0.44) HRH3GPR119ALDH1A1PTPN11MAPT
SCHEMBL29491152 0.82 MAPT (0.44) HRH3GPR119ALDH1A1PTPN11MAPT
SCHEMBL22650819 0.80 HRH3 (0.39) HRH3L3MBTL1
SCHEMBL31727825 0.79 GPR119 (0.46) HRH3GPR119ALDH1A1MAPTMEN1
SCHEMBL1393764 0.79 MAPT (0.56) GPR119ALDH1A1PTPN11MAPTMEN1

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed