SCHEMBL8639409

SCHEMBL8639409

CC(CNS(C)(=O)=O)NCc1ccc(OCCCc2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASR P41180 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9134138 0.88 ADRB2 (0.39) BCHEMEN1KMT2ANPC1RAB9A
SCHEMBL8638577 0.88 BCHE (0.43) BCHEMEN1KMT2ANPC1RAB9A
SCHEMBL9132314 0.87 BCHE (0.44) BCHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8636531 0.86 BCHE (0.53) BCHEMEN1KMT2ANPC1RAB9A
SCHEMBL8635189 0.85 KCNH2 (0.43) BCHEMEN1KMT2AKCNH2
SCHEMBL8638250 0.84 SCN9A (0.50) BCHEMEN1KMT2ALMNANPC1
SCHEMBL9135007 0.83 BCHE (0.52) BCHENPC1RAB9ASMN1; SMN2
SCHEMBL8637818 0.82 SLC2A1 (0.47) MEN1KMT2ALMNA
SCHEMBL8636498 0.81 FAAH (0.42) BCHEDRD3ALDH1A1KCNH2
SCHEMBL8639402 0.80 SCN9A (0.57)

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-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
EP-0643688-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP disclosed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO disclosed