SCHEMBL30468290

SCHEMBL30468290

CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc(-c4ccccc4NC(=O)c4ccc(Cl)cc4)oc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PCSK9 Q8NBP7 1/20 0.43
MCHR1 Q99705 2/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MAPK8 P45983 1/20 0.42
F10 P00742 2/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACKR3 P25106 3/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL30468254 0.94 SUCNR1 (0.44) PCSK9MCHR1MAPK8KDM4EACKR3
SCHEMBL30468301 0.93 SMN1; SMN2 (0.45) SMN1; SMN2PCSK9MAPK8KDM4EALDH1A1
SCHEMBL30468230 0.92 MAPK8 (0.43) PCSK9MAPK8ACKR3MEN1KMT2A
SCHEMBL30468247 0.92 SUCNR1 (0.44) PCSK9MCHR1MAPK8MEN1KMT2A
SCHEMBL30468235 0.92 BACE1 (0.46) SMN1; SMN2PCSK9MAPK8SUCNR1BACE1
SCHEMBL30468222 0.92 NPC1 (0.45) PCSK9MCHR1ACKR3KMT2ARAB9A
SCHEMBL30468303 0.91 PCSK9 (0.43) PCSK9MAPK8ACKR3SUCNR1BACE1
SCHEMBL30468284 0.90 MAPK8 (0.42) NPSR1HTTVEGFAEGLN1MAPK8
SCHEMBL30468296 0.90 PCSK9 (0.43) HTTPCSK9KDM4EALDH1A1MEN1
SCHEMBL30468300 0.89 MAPK8 (0.46) MAPK8ALDH1A1ACKR3CHRM1MEN1

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