SCHEMBL7533620

SCHEMBL7533620

NCCCc1ccccc1OCOC1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
GPR84 Q9NQS5 2/20 0.40
HTR2A P28223 2/20 0.35
RET P07949 1/20 0.35
HRH1 P35367 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33

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 0.79 GPR84 (0.42) IDO1GPR84HTR2ATAAR1
SCHEMBL7258599 0.76 IDO1 (0.63) IDO1GPR84HTR2ARET
SCHEMBL7410008 0.73 IDO1 (0.61) IDO1GPR84HTR2ARETHRH1
SCHEMBL7425981 0.71 KMT2A (0.47) IDO1HTR2ATAAR1KMT2A
SCHEMBL9244789 0.69 IDO1 (0.59) IDO1GPR84HTR2ARETHRH1
SCHEMBL7425987 0.68 SMPD1 (0.47) IDO1
SCHEMBL11658615 0.67 IDO1 (0.56) IDO1GPR84MEN1KMT2A
SCHEMBL448659 0.67 IDO1 (0.59) IDO1GPR84HTR2ARET
SCHEMBL14461584 0.67 IDO1 (0.59) IDO1GPR84
SCHEMBL9038190 0.67 L3MBTL1 (0.53) HRH1TAAR1MEN1KMT2A

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