SCHEMBL9116253

SCHEMBL9116253

CCCC(NC=O)C1(c2ccccc2F)CCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSK P43235 3/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL1923 0.81 CTSL (0.37) CTSLCTSBCTSKSLC6A4SLC6A3
SCHEMBL2190 0.77 SLC6A3 (0.46) SLC6A4SLC6A3
SCHEMBL2111 0.75 SLC6A4 (0.48) HDAC4SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2142 0.74 SLC6A3 (0.36) HDAC4TAS1R3TAS1R1PSEN1PSEN2
SCHEMBL2793 0.72 SLC6A4 (0.57) SLC6A4SLC6A3
SCHEMBL7570645 0.69 HDAC4 (0.43) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL7564524 0.68 PSEN1 (0.43) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL13755347 0.66 HDAC4 (0.45) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL9864627 0.66 HDAC4 (0.38) HDAC4SLC6A4SLC6A3
SCHEMBL9123539 0.65 SLC6A4 (0.44) SLC6A4SLC6A3MEN1KMT2ATAAR1

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
WO-1995021615-A1 USE OF ARYLCYCLOBUTYLALKYLAMINES FOR THE TREATMENT OF SEIZURES AND NEUROLOGICAL DISORDERS KNOLL AG (DE) 1995-08-17 WO claimed
WO-1995021615-A1 USE OF ARYLCYCLOBUTYLALKYLAMINES FOR THE TREATMENT OF SEIZURES AND NEUROLOGICAL DISORDERS KNOLL AG (DE) 1995-08-17 WO disclosed