SCHEMBL10653232

SCHEMBL10653232

O=C(N1C=CC=Cc2ccccc21)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
P2RX4 Q99571 13/20 0.38
P2RX1 P51575 5/20 0.37
P2RX3 P56373 5/20 0.37
P2RX7 Q99572 2/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 3/20 0.34
CES1 P23141 3/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL3687782 0.80 P2RX4 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5367306 0.78 LMNA (0.42) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3691734 0.78 LMNA (0.55) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1248214 0.78 P2RX4 (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5803934 0.75 P2RX4 (0.33) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL11619656 0.74 LMNA (0.58) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5172363 0.74 BCHE (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5367522 0.73 P2RX4 (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5806375 0.72 LMNA (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL8672568 0.71 P2RX4 (0.46) LMNATSHRMAPK1SCN4ASCN5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127423-B1 1-(4'-BRANCHED ALKYLSULFONYLPHENYL)-6-CHLORO-7,8-DIHYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-03 EP disclosed
US-4514394-A Anti-hypertensive use of 1-(4'-branched alkylsulfonylphenyl)-6-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1985-04-30 US disclosed
EP-0127423-A2 1-(4'-Branched alkylsulfonylphenyl)-6-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1984-12-05 EP disclosed