SCHEMBL8660375

SCHEMBL8660375

COc1ccccc1C(OCC1CC(O)CN1C(N)=O)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 5/20 0.36
RIPK1 Q13546 1/20 0.35
SLC6A11 P48066 1/20 0.35
MTNR1B P49286 2/20 0.34
HTT P42858 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
RBP4 P02753 2/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
CHRM3 P20309 2/20 0.32
PIK3CD O00329 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TTR P02766 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8660379 0.91 SLC6A1 (0.34) SLC6A1RIPK1SLC6A11MTNR1BMEN1
SCHEMBL8662093 0.88 PIK3CD (0.35) SLC6A1RIPK1SLC6A11HTTITGB2
SCHEMBL8662709 0.88 MTNR1B (0.37) SLC6A1RIPK1SLC6A11MTNR1BHTT
SCHEMBL6858148 0.87 ITGA4 (0.39) RBP4MEN1KMT2A
SCHEMBL8662809 0.86 CYP2D6 (0.37) SLC6A1RIPK1SLC6A11HTTITGB2
SCHEMBL8660410 0.85 POLB (0.44) POLBMEN1KMT2A
SCHEMBL8661342 0.84 ALDH1A1 (0.35) SLC6A1HTTPOLBSMN1; SMN2MEN1
SCHEMBL8662486 0.84 MTNR1B (0.40) MTNR1BCHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL8662934 0.83 SLC6A1 (0.33) SLC6A1RIPK1SLC6A11HTTITGB2
SCHEMBL8662962 0.82 PIK3CD (0.47) PIK3CDSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed