SCHEMBL7425987

SCHEMBL7425987

COc1ccc(CCCN)cc1OC1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
IDO1 P14902 2/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL7424982 0.81 ALDH1A1 (0.51) SMPD1ABCB1
SCHEMBL7425981 0.81 KMT2A (0.47) KDM4EATMIDO1
SCHEMBL4637327 0.77 FFAR1 (0.43) IDO1
SCHEMBL7324772 0.76 PDE4B (0.55) KDM4EATM
SCHEMBL2468726 0.75 ATM (0.79) KDM4EATM
SCHEMBL4637286 0.75 ALDH1A1 (0.51) IDO1
SCHEMBL7425979 0.74 NPC1 (0.43) SMPD1KDM4EIDO1
SCHEMBL8711349 0.73 HTR2C (0.46)
SCHEMBL12394730 0.72 PIN1 (0.43) KDM4EIDO1
SCHEMBL7533622 0.71 GPR84 (0.42) IDO1

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