SCHEMBL28384602

SCHEMBL28384602

CC(C)(C)N(CCc1ccccc1)C(=O)OCCF

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.41
MLYCD O95822 2/20 0.39
OPRM1 P35372 1/20 0.38
ALOX5 P09917 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL28388205 0.93 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28387157 0.87 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28385257 0.86 MEN1 (0.47) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28761848 0.84 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28384613 0.84 L3MBTL1 (0.45) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28381472 0.84 SCN1A (0.55) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL28386709 0.84 L3MBTL1 (0.45) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28380892 0.84 L3MBTL1 (0.45) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL28385517 0.83 MEN1 (0.47) MEN1KMT2AL3MBTL1HTTTDP1
SCHEMBL27741121 0.81 KMT2A (0.45) MEN1KMT2AL3MBTL1HTTTDP1

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-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
CN-111051309-A Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2020-04-21 CN disclosed