SCHEMBL28997149

SCHEMBL28997149

N#CCC1CCC(=O)N1c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GFER P55789 2/20 0.37
DPP4 P27487 1/20 0.37
BPTF Q12830 1/20 0.36
P2RX7 Q99572 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PRMT5 O14744 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30226089 1.00 FAAH (0.41) FAAHMGLLHDAC1HDAC6POLB
SCHEMBL30226142 0.85 KDM4E (0.42) MGLLALDH1A1GAAMAPTALOX5
SCHEMBL28997293 0.85 KDM4E (0.42) MGLLALDH1A1GAAMAPTALOX5
SCHEMBL30226199 0.84 MGLL (0.41) MGLLALDH1A1ALOX5MEN1KMT2A
SCHEMBL28997153 0.84 MGLL (0.41) MGLLALDH1A1ALOX5MEN1KMT2A
SCHEMBL28997296 0.83 HTR7 (0.41) MGLLHDAC1HDAC6ALDH1A1GAA
SCHEMBL28997140 0.83 PTGER2 (0.39) ALDH1A1MAPTP2RX7
SCHEMBL6989641 0.80 HDAC1 (0.41) FAAHMGLLHDAC1HDAC6POLB
SCHEMBL28997288 0.76 MEN1 (0.41) MGLLHDAC1HDAC6ALDH1A1MEN1
SCHEMBL28997141 0.75 RAB9A (0.38) FAAHMGLLALDH1A1MEN1KMT2A

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed