SCHEMBL8638577

SCHEMBL8638577

CC(CNS(C)(=O)=O)NCc1ccc(OCCCc2ccccc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SLC2A1 P11166 1/20 0.36
SCN9A Q15858 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL8639409 0.88 BCHE (0.43) BCHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9132314 0.87 BCHE (0.44) BCHENPC1RAB9ASMN1; SMN2
SCHEMBL8636531 0.86 BCHE (0.53) BCHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8638250 0.84 SCN9A (0.50) BCHENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9135007 0.83 BCHE (0.52) BCHENPC1RAB9ASMN1; SMN2SLC2A1
SCHEMBL8638563 0.82 MEN1 (0.49) BCHEMEN1KMT2ASLC2A1FFAR1
SCHEMBL8635189 0.81 KCNH2 (0.43) BCHEMEN1KMT2A
SCHEMBL8636498 0.81 FAAH (0.42) BCHE
SCHEMBL8638572 0.80 SCN9A (0.57) SCN9A
SCHEMBL9134138 0.80 ADRB2 (0.39) BCHENPC1RAB9ASMN1; SMN2MEN1

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-0643688-B1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN SPA (IT) 1998-07-29 EP disclosed
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US disclosed