SCHEMBL30237100

SCHEMBL30237100

CCCCOC(=O)N1CCC(C#N)(c2ccncc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.43
OPRK1 P41145 1/20 0.43
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH2 P25021 4/20 0.37
HRH1 P35367 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMYD3 Q9H7B4 2/20 0.37
NAMPT P43490 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL30342284 0.81 JAK2 (0.44) POLBNAMPTGPR119
SCHEMBL29215634 0.81 JAK2 (0.44) POLBNAMPTGPR119
SCHEMBL28239943 0.77 HRH2 (0.43) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL8824367 0.76 OPRD1 (0.53) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL4064856 0.76 OPRD1 (0.46) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL30237267 0.75 OPRK1 (0.48) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL12520220 0.73 OPRD1 (0.42) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL22631375 0.71 KRAS (0.43) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL25232371 0.71 OPRK1 (0.47) OPRD1OPRK1SMN1; SMN2KMT2ARAB9A
SCHEMBL9037444 0.70 OPRD1 (0.51) OPRD1OPRK1LMNAPOLBSMN1; SMN2

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-4408533-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES Zevra Denmark A/S (DK) 2024-08-07 EP disclosed
WO-2023053008-A1 OXIMES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES KEMPHARM DENMARK A/S (DK) 2023-04-06 WO disclosed