SCHEMBL7533615

SCHEMBL7533615

CCCNc1cccc(OCOC2CCc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
GFRA2 O00451 1/20 0.36
GFRA3 O60609 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 4/20 0.35
GPR84 Q9NQS5 1/20 0.35
FADS1 O60427 1/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR5A P47898 1/20 0.34
FFAR1 O14842 2/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 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
SCHEMBL7533622 0.72 GPR84 (0.42) IDO1GFRA2GFRA3GPR84
SCHEMBL7425979 0.72 NPC1 (0.43) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL7258599 0.72 IDO1 (0.63) IDO1GPR84
SCHEMBL30728437 0.69 GPR84 (0.57) IDO1HTR1ADRD2GPR84FFAR1
SCHEMBL14461584 0.69 IDO1 (0.59) IDO1HTR1ADRD2GPR84FFAR1
SCHEMBL4568818 0.69 SIRT2 (0.52)
SCHEMBL2090211 0.66 MTNR1B (0.62) MEN1KMT2AALDH1A1MAPT
SCHEMBL12963096 0.66 SYK (0.49) KMT2AALDH1A1MAPTF2
SCHEMBL9626216 0.66 IDO1 (0.51) IDO1HTR1ADRD2GPR84CYP2D6
SCHEMBL25959895 0.65 HIF1A (0.41) MAPTHTTCYP1A2CYP2D6F2

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-0874819-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-11-04 EP disclosed
WO-1997023457-A1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1997-07-03 WO disclosed