SCHEMBL28978298

SCHEMBL28978298

O=C(c1ccccc1)N1CCC2(CC1)CCN(CC1CCCCC1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.58
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
NPC1L1 Q9UHC9 2/20 0.46
TP53 P04637 1/20 0.45
CRBN Q96SW2 2/20 0.44
EPHX2 P34913 1/20 0.44
DDB1 Q16531 1/20 0.44
SLC18A3 Q16572 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.44
USP2 O75604 1/20 0.44
NAMPT P43490 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL28978309 0.99 RIPK1 (0.60) RIPK1HPGDALDH1A1KDM4EPOLB
SCHEMBL4719174 0.80 ALDH1A1 (0.58) RIPK1HPGDALDH1A1KDM4EPOLB
SCHEMBL28978282 0.79 RIPK1 (0.83) RIPK1ALDH1A1KDM4ECRBNDDB1
SCHEMBL28978300 0.77 NPC1L1 (0.45) RIPK1HPGDALDH1A1KDM4EPOLB
SCHEMBL28978315 0.75 NPC1L1 (0.44) RIPK1HPGDALDH1A1KDM4EPOLB
SCHEMBL28978314 0.74 RIPK1 (0.72) RIPK1CHRM2CHRM3
SCHEMBL28978316 0.74 RIPK1 (0.79) RIPK1ALDH1A1KDM4ECRBNDDB1
SCHEMBL28978285 0.74 RIPK1 (1.00) RIPK1ALDH1A1KDM4EPOLBCRBN
SCHEMBL28978328 0.73 RIPK1 (0.71) RIPK1ALDH1A1CRBNDDB1USP2
SCHEMBL30289705 0.73 RIPK1 (0.64) RIPK1HPGDALDH1A1KDM4ECRBN

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
CN-115894489-A Inhibitor of receptor interaction protein kinase 1, preparation method and application thereof 中国药科大学 2023-04-04 CN disclosed