SCHEMBL8638563

SCHEMBL8638563

CC(CNS(C)(=O)=O)NCc1ccc(OCCCc2cccc(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
PPARG P37231 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
FFAR1 O14842 1/20 0.37
PPARA Q07869 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
SCHEMBL8637818 0.88 SLC2A1 (0.47) MEN1KMT2ASLC2A1
SCHEMBL9133931 0.88 SLC2A1 (0.53) MEN1KMT2ABCHESLC2A1
SCHEMBL8637848 0.88 MAOB (0.48) BCHESLC2A1
SCHEMBL8636531 0.87 BCHE (0.53) MEN1KMT2ABCHESIGMAR1SLC2A1
Hydrochloric Acid SCHEMBL8636522 0.87 MAOB (0.48) BCHESLC2A1
SCHEMBL9135007 0.84 BCHE (0.52) BCHESIGMAR1SLC2A1FFAR1
SCHEMBL8640665 0.82 MAOB (0.49) BCHEPPARG
SCHEMBL8638577 0.82 BCHE (0.43) MEN1KMT2ABCHESLC2A1FFAR1
SCHEMBL8635189 0.82 KCNH2 (0.43) MEN1KMT2ABCHE
SCHEMBL8636498 0.82 FAAH (0.42) BCHEALDH1A1PPARGPPARA

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