SCHEMBL3933432

SCHEMBL3933432

Cc1ccc(OCCN)c(C)n1.NCCOc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.46
HTR2A P28223 2/20 0.38
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTPN7 P35236 2/20 0.36
DUSP3 P51452 2/20 0.36
S1PR1 P21453 1/20 0.36
MPL P40238 2/20 0.36
STK17A Q9UEE5 1/20 0.35
RAF1 P04049 1/20 0.35
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL4370472 0.83 PDK2 (0.44) HTR2ASLC6A4KCNH2PTPN7DUSP3
SCHEMBL4370075 0.80 S1PR4 (0.57) S1PR4NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1623536 0.78 S1PR4 (0.55) S1PR4NPC1RAB9ASMN1; SMN2
SCHEMBL3933434 0.78 AKT1 (0.35) S1PR4HTR2ASLC6A4KCNH2PTPN7
SCHEMBL22809630 0.71 SLC7A5 (0.48) SMN1; SMN2PDK2
SCHEMBL586317 0.70 PTPN7 (0.45) HTR2ASLC6A4KCNH2PTPN7DUSP3
Hydrochloric Acid SCHEMBL30450550 0.70 SLC7A5 (0.47) SMN1; SMN2PDK2
Hydrochloric Acid SCHEMBL20595234 0.70 SLC7A5 (0.47) SMN1; SMN2PDK2
SCHEMBL2135911 0.69 S1PR4 (0.47) S1PR4PDE2A
SCHEMBL6832255 0.69 NQO1 (0.46) HTR2ASLC6A4KCNH2PTPN7DUSP3

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-2044019-A1 3-OXOISOINDOLINE-1-CARBOXAMIDE DERIVATIVES AS ANALGESIC AGENTS Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008008020-A1 3-OXOISOINDOLINE-1-CARBOXAMIDE DERIVATIVES AS ANALGESIC AGENTS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed