SCHEMBL16100215

SCHEMBL16100215

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(c1)CCCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 16/20 0.39
▸ TMEM97 Q5BJF2 3/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ATXN2 Q99700 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL16100412 0.82 ENPP2 (0.40) ENPP2
SCHEMBL16099892 0.81 ENPP2 (0.43) ENPP2ATXN2
SCHEMBL16100542 0.80 ENPP2 (0.41) ENPP2
SCHEMBL16100534 0.80 ENPP2 (0.41) ENPP2NPC1RAB9ASMN1; SMN2ATXN2
SCHEMBL16100321 0.78 FAAH (0.38) ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL16102966 0.76 ENPP2 (0.40) ENPP2NPC1RAB9ASMN1; SMN2ATXN2
SCHEMBL16101350 0.75 SMN1; SMN2 (0.38) ENPP2TMEM97SIGMAR1NPC1RAB9A
SCHEMBL16099815 0.75 ENPP2 (0.41) ENPP2TMEM97SIGMAR1NPC1RAB9A
SCHEMBL16099903 0.75 FAAH (0.38) ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL16102199 0.74 ENPP2 (0.39) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
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