SCHEMBL18617044

SCHEMBL18617044

O=CCN1CCc2nc(-c3ccc(OCc4cccc(F)c4)cc3)ncc2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
MAOB P27338 6/20 0.41
PARP10 Q53GL7 1/20 0.41
BTK Q06187 2/20 0.40
ALKBH1 Q13686 1/20 0.40
PRMT5 O14744 1/20 0.39
MAOA P21397 2/20 0.39

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
SCHEMBL18549838 0.87 NR4A2 (0.47) NR4A2MAOBPARP10ALKBH1
SCHEMBL18550468 0.85 S1PR5 (0.51) NR4A2MAOBPARP10ALKBH1
SCHEMBL18550316 0.83 S1PR5 (0.58) NR4A2MAOBPARP10ALKBH1
SCHEMBL18550286 0.82 S1PR5 (0.47) NR4A2MAOB
SCHEMBL18550038 0.82 S1PR5 (0.49) NR4A2MAOBMAOA
SCHEMBL18550008 0.81 S1PR5 (0.42) NR4A2MAOBPARP10BTK
SCHEMBL18617643 0.80 JAK1 (0.40) PRMT5
SCHEMBL18550306 0.79 S1PR5 (0.58) NR4A2MAOBPARP10ALKBH1MAOA
SCHEMBL18550139 0.79 MAPT (0.49) NR4A2MAOBPARP10BTK
SCHEMBL18549883 0.78 ITGB3 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 WO disclosed