SCHEMBL8635189

SCHEMBL8635189

CC(CNS(C)(=O)=O)NCc1ccc(OCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
BCHE P06276 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8636531 0.90 BCHE (0.53) BCHEKMT2AMEN1POLB
SCHEMBL8636498 0.89 FAAH (0.42) KCNH2BCHEADRB2ADRB1ADRB3
SCHEMBL8637818 0.88 SLC2A1 (0.47) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL9135007 0.86 BCHE (0.52) BCHEPOLB
SCHEMBL9134138 0.86 ADRB2 (0.39) BCHEKMT2AMEN1ADRB2ADRB1
SCHEMBL8639409 0.85 BCHE (0.43) KCNH2BCHEKMT2AMEN1
SCHEMBL8637848 0.82 MAOB (0.48) BCHE
SCHEMBL8638563 0.82 MEN1 (0.49) BCHEKMT2AMEN1
SCHEMBL9133931 0.82 SLC2A1 (0.53) BCHEKMT2AMEN1
Hydrochloric Acid SCHEMBL8636522 0.81 MAOB (0.48) BCHE

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 4 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
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