SCHEMBL29588708

SCHEMBL29588708

CC(C)(C)OC(=O)N1CC2(CC(NCc3ccc(C(F)(F)F)cc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.47
MAPT P10636 1/20 0.45
RORC P51449 4/20 0.44
TACR1 P25103 3/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TGFBR1 P36897 1/20 0.39
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
CCR2 P41597 1/20 0.39
PHGDH O43175 1/20 0.39

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
SCHEMBL17606049 0.89 DNMT3A (0.45) RORCSMN1; SMN2GPR119MEN1CYP2C19
SCHEMBL29589624 0.86 KEAP1 (0.46) RORCACHEGPR119ENPP2ATXN2
SCHEMBL25261179 0.85 TEAD1 (0.52) TEAD1MAPTRORCTACR1BCHE
SCHEMBL25219110 0.83 MAPT (0.56) MAPTRORCTACR1GPR119TGFBR1
SCHEMBL29589334 0.83 CA1 (0.44) GPR119MEN1KMT2A
SCHEMBL21276381 0.81 TEAD1 (0.48) TEAD1MAPTRORCTACR1BCHE
SCHEMBL3457225 0.80 TEAD1 (0.61) TEAD1MAPTBCHEACHEBACE1
SCHEMBL31293700 0.78 EHMT2 (0.40) MAPTRORCSMN1; SMN2HTTEHMT2
SCHEMBL18357554 0.77 ABHD6 (0.53) TEAD1MAPTRORCGPR119
SCHEMBL16464443 0.77 EHMT2 (0.39) MAPTRORCSMN1; SMN2MEN1KMT2A

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
CN-116848091-A Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP 1) and uses thereof 1CBIO公司 2023-10-03 CN disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed