SCHEMBL28668151

SCHEMBL28668151

NC1(C(=O)Nc2ccccc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.52
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC1 Q13547 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
EPHX1 P07099 2/20 0.45
EPHX2 P34913 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
RAB9A P51151 2/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A2 P23975 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL28674194 0.98 FAAH (0.50) FAAHLMNANPSR1HDAC1GAA
SCHEMBL25383436 0.95 MEN1 (0.47) FAAHLMNANPSR1HDAC1GAA
SCHEMBL28667446 0.91 SMN1; SMN2 (0.50) FAAHLMNANPSR1HDAC1GAA
SCHEMBL28612298 0.83 HDAC1 (0.51) LMNANPSR1HDAC1GAAHPGD
SCHEMBL3231788 0.83 HDAC1 (0.55) FAAHHDAC1MEN1KMT2ATRPV1
SCHEMBL31075519 0.83 HDAC1 (0.51) FAAHLMNAHDAC1GAAMEN1
SCHEMBL6719477 0.83 MAPT (0.50) LMNANPSR1HPGDSMN1; SMN2EPHX1
SCHEMBL28848245 0.82 MAPT (0.52) LMNANPSR1HDAC1GAAMEN1
SCHEMBL14062179 0.81 TSHR (0.45) FAAHLMNANPSR1GAAMEN1
SCHEMBL8176621 0.81 EPHX2 (0.50) MEN1KMT2AHPGDSMN1; SMN2EPHX1

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-113896712-B Diamide compound containing cyclic amino acid 华东理工大学 2024-04-09 CN disclosed
CN-113896712-A Diamide compound containing cyclic amino acid 华东理工大学 2022-01-07 CN disclosed