SCHEMBL28523399

SCHEMBL28523399

CC(C)(C)OC(=O)NCc1cnc(N2CCNCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
GPR119 Q8TDV5 3/20 0.41
NAMPT P43490 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL30405507 0.87 TAAR1 (0.48) TAAR1ACACBHDAC6KDM4E
SCHEMBL16785094 0.85 AOC3 (0.47) ACACBACACA
SCHEMBL30674018 0.85 L3MBTL1 (0.40) L3MBTL1GPR119NAMPTKDM4ELMNA
SCHEMBL21527996 0.84 POLB (0.46) L3MBTL1GPR119NAMPT
SCHEMBL29172479 0.82 L3MBTL1 (0.39) L3MBTL1ACACBACACAGPR119NAMPT
SCHEMBL25999569 0.82 GPR119 (0.41) L3MBTL1HDAC6GPR119NAMPTMAPT
SCHEMBL29172447 0.82 SIGMAR1 (0.44) HDAC6GPR119
SCHEMBL20425077 0.81 TAAR1 (0.47) TAAR1HDAC6GPR119KDM4EMAPT
SCHEMBL20552595 0.81 OGA (0.44) L3MBTL1ACACBGPR119NAMPTKDM4E
SCHEMBL30405421 0.80 TAAR1 (0.55) TAAR1HDAC6KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368289-B C26-linked rapamycin analogues as MTOR inhibitors 锐新医药公司 2024-02-20 CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 CN disclosed
CN-112368289-A C26-linked rapamycin analogs as MTOR inhibitors 锐新医药公司 2021-02-12 CN disclosed