SCHEMBL30173612

SCHEMBL30173612

CCOC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR9 Q9NR96 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
SMO Q99835 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL25230495 1.00 GPR119 (0.48) GPR119MAPTTP53PTPN11ALDH1A1
SCHEMBL20231885 0.88 PTPN11 (0.52) GPR119MAPTPTPN11ALDH1A1NPSR1
SCHEMBL30166221 0.87 GPR119 (0.55) GPR119MAPTPTPN11ALDH1A1HTT
SCHEMBL25274946 0.87 GPR119 (0.55) GPR119MAPTPTPN11ALDH1A1HTT
SCHEMBL25239083 0.85 ALDH1A1 (0.62) GPR119MAPTPTPN11ALDH1A1ACHE
SCHEMBL30173624 0.85 ALDH1A1 (0.62) GPR119MAPTPTPN11ALDH1A1ACHE
SCHEMBL25263333 0.83 PTPN11 (0.53) GPR119MAPTPTPN11ACHEMEN1
SCHEMBL12480371 0.82 GPR119 (0.56) GPR119MAPTPTPN11ACHECKS1B
SCHEMBL25689688 0.82 ALDH1A1 (0.63) MAPTTP53ALDH1A1NPSR1NPC1
SCHEMBL25215112 0.81 PTPN11 (0.52) GPR119MAPTPTPN11ALDH1A1NPSR1

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-115697972-B Receptor-interacting protein 1 inhibitors including piperazine heterocyclic amide urea 维泰瑞隆有限公司 2024-11-22 CN disclosed
CN-115697972-A Receptor-interacting protein 1 inhibitors comprising piperazine heterocyclic amide ureas 维泰瑞隆有限公司 2023-02-03 CN disclosed