SCHEMBL30968465

SCHEMBL30968465

C=CCC1(O)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM1A O60341 2/20 0.47
CYP2C19 P33261 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
RORC P51449 3/20 0.45
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
F13A1 P00488 2/20 0.43
TGM2 P21980 2/20 0.43
TGM1 P22735 2/20 0.43
ELANE P08246 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL19692849 0.93 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL10082703 0.85 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14377692 0.84 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19779322 0.84 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3273418 0.84 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31303394 0.82 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7514805 0.81 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23406467 0.81 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21595304 0.81 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6285052 0.80 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed