SCHEMBL30485035

SCHEMBL30485035

CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.39
MAPK1 P28482 1/20 0.39
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
CASP1 P29466 1/20 0.38
NAMPT P43490 1/20 0.34
IDO1 P14902 4/20 0.34
PARP1 P09874 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL26091468 1.00 TSHR (0.40) TSHRBACE1MAPK1DDB1CRBN
SCHEMBL26092335 0.84 BACE1 (0.41) TSHRBACE1MAPK1CASP1IDO1
SCHEMBL30485090 0.84 BACE1 (0.41) TSHRBACE1MAPK1CASP1IDO1
SCHEMBL26090531 0.82 NPC1 (0.43) MAPK1DDB1CRBNPARP1KMT2A
SCHEMBL31310079 0.78 BACE1 (0.40) TSHRBACE1MAPK1CASP1IDO1
SCHEMBL15825585 0.78 BACE1 (0.42) BACE1CASP1IDO1
SCHEMBL18926981 0.76 BACE1 (0.51) BACE1MAPK1IDO1KMT2A
SCHEMBL26136524 0.76 NR1H2 (0.38) MAPK1DDB1CRBNPARP1
SCHEMBL31210310 0.76 BACE1 (0.51) BACE1MAPK1IDO1KMT2A
SCHEMBL16430402 0.75 BACE1 (0.45) TSHRBACE1MAPK1CASP1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419207-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
WO-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed