SCHEMBL3973246

SCHEMBL3973246

C=CC(=O)NCc1oc2ccccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RXFP1 Q9HBX9 1/20 0.44
TGM2 P21980 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GAA P10253 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL4778441 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2RXFP1TGM2
SCHEMBL5269323 0.82 MTNR1A (0.47) TGM2MTNR1AMTNR1B
SCHEMBL23532112 0.81 NR1I3 (0.58) NPC1RAB9ASMN1; SMN2RXFP1TGM2
SCHEMBL4778585 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2RXFP1L3MBTL1
Hydrochloric Acid SCHEMBL30481157 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2RXFP1L3MBTL1
SCHEMBL23532074 0.79 ABL1 (0.41) RAB9ASMN1; SMN2TGM2L3MBTL1GAA
SCHEMBL725375 0.74 HCRTR1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1KCNH2
SCHEMBL1252145 0.74 KCNH2 (0.43) NPC1RAB9ASMN1; SMN2RXFP1L3MBTL1
Trifluoroacetic Acid SCHEMBL4777180 0.74 NPC1 (0.43) NPC1RAB9ASMN1; SMN2RXFP1L3MBTL1
SCHEMBL11427914 0.73 NQO1 (0.58) NPC1RAB9AKDM4ELMNATSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP claimed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO claimed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP claimed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP claimed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 WO claimed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO claimed
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP disclosed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO disclosed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 WO disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed