SCHEMBL29072017

SCHEMBL29072017

CC(C)(C)OC(=O)N1CCNCC1C(=O)c1cccnn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GPR119 Q8TDV5 3/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
NPC1 O15118 1/20 0.35
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 2/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL30283138 0.80 PARP1 (0.40) PARP1MAPK1POLBGPR119LMNA
SCHEMBL29182722 0.80 PARP1 (0.40) PARP1MAPK1POLBGPR119LMNA
SCHEMBL17560446 0.80 PARP1 (0.41) PARP1MAPK1GPR119MC4RMC5R
SCHEMBL28978028 0.79 MAPK1 (0.43) PARP1MAPK1KDM4EGPR119MC4R
SCHEMBL30740797 0.74 PARP1 (0.38) PARP1MAPK1POLBKDM4EMC4R
SCHEMBL27701654 0.74 SLC6A2 (0.43) PARP1MAPK1MEN1KMT2A
SCHEMBL18228700 0.74 GPR119 (0.51) POLBGPR119USP30KMT2A
SCHEMBL28067177 0.73 GPR119 (0.47) PARP1GPR119MC4RMC5RNPC1
SCHEMBL1115469 0.73 LMNA (0.41) PARP1POLBGPR119MC4RMC5R
SCHEMBL1685922 0.73 HSD17B10 (0.47) PARP1MAPK1MC4RMC5RNPC1

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
CN-116744929-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 CN disclosed