SCHEMBL3225091

SCHEMBL3225091

[CH]c1ccc(-c2ccc3c(c2)CN(C)CCN3c2cc(F)cc(F)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.43
HRH4 Q9H3N8 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RPS6KA3 P51812 1/20 0.31
TERT O14746 1/20 0.30

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
SCHEMBL3230004 0.91 SCN9A (0.45) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3229434 0.88 SCN9A (0.43) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3227128 0.88 SCN9A (0.46) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3231435 0.87 SCN9A (0.44) SCN9ASLC6A2SLC6A4SLC6A3TERT
SCHEMBL3225493 0.85 SCN9A (0.42) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3237531 0.85 SCN9A (0.48) SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3233080 0.85 SCN9A (0.45) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3479601 0.84 SCN9A (0.43) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3217112 0.84 SCN9A (0.40) SCN9AHRH4SLC6A2SLC6A4SLC6A3
SCHEMBL3233677 0.83 SCN9A (0.47) SCN9AHRH4SLC6A2SLC6A4SLC6A3

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-2146722-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141081-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO disclosed