SCHEMBL30468296

SCHEMBL30468296

CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc(-c4ccccc4NC(=O)c4ccc([N+](=O)[O-])cc4)oc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.43
CCR5 P51681 3/20 0.43
MGLL Q99685 2/20 0.42
FAAH O00519 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL30468240 0.93 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL30468254 0.91 SUCNR1 (0.44) PCSK9FAAHDRD4KDM4E
SCHEMBL30468301 0.90 SMN1; SMN2 (0.45) PCSK9DRD4ALDH1A1LMNAMAPT
SCHEMBL30468290 0.90 NPSR1 (0.46) PCSK9DRD4ALDH1A1KDM4EMEN1
SCHEMBL30468235 0.90 BACE1 (0.46) PCSK9DRD4
SCHEMBL30468222 0.89 NPC1 (0.45) PCSK9FAAHDRD4KMT2A
SCHEMBL20541643 0.89 ALDH1A1 (0.46) CCR5MGLLFAAHDRD4ALDH1A1
SCHEMBL30468303 0.88 PCSK9 (0.43) PCSK9
SCHEMBL30468230 0.87 MAPK8 (0.43) PCSK9FAAHACHEMEN1KMT2A
SCHEMBL30468314 0.86 SUCNR1 (0.45) PCSK9FAAHDRD4ALDH1A1LMNA

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
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP disclosed