SCHEMBL24971007

SCHEMBL24971007

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@H]2Nc1nc2ccccc2nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
BACE1 P56817 5/20 0.42
SSTR4 P31391 1/20 0.42
NAMPT P43490 1/20 0.42
ANO1 Q5XXA6 1/20 0.40
PDE10A Q9Y233 2/20 0.39
USP30 Q70CQ3 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP10 P09238 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
RORC P51449 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
POLR1A O95602 1/20 0.38

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
SCHEMBL31143013 1.00 POLB (0.43) POLBBACE1SSTR4NAMPTANO1
SCHEMBL24969919 0.86 MEN1 (0.44) POLBBACE1SSTR4NAMPTANO1
SCHEMBL31143020 0.86 MEN1 (0.44) POLBBACE1SSTR4NAMPTANO1
SCHEMBL8253734 0.80 HDAC3 (0.52) BACE1SSTR4NAMPTPDE10AUSP30
SCHEMBL2593585 0.79 PDE10A (0.48) POLBBACE1NAMPTPDE10AKCNK3
SCHEMBL24969922 0.75 USP30 (0.40) BACE1SSTR4NAMPTUSP30RORC
SCHEMBL31143006 0.75 USP30 (0.40) BACE1SSTR4NAMPTUSP30RORC
SCHEMBL29864697 0.74 SSTR4 (0.41) POLBSSTR4NAMPTANO1USP30
SCHEMBL22702770 0.74 SSTR4 (0.41) POLBSSTR4NAMPTANO1USP30
SCHEMBL31143019 0.74 HTR3B (0.57) POLBBACE1NAMPTPDE10A

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-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed