SCHEMBL7142115

SCHEMBL7142115

c1ccc(CCOC2CCCOC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4D Q08499 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL8510243 0.85 KCNA5 (0.32) PDE4DPDE4APDE4BPDE4CPRMT5
SCHEMBL8510312 0.85 KCNA5 (0.34) LMNATAAR1
SCHEMBL28340566 0.84 CTSL (0.44) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL28340358 0.84 CTSL (0.44) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL11190973 0.84 CTSL (0.44) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL7458158 0.81 OPRM1 (0.46) MEN1KMT2AOPRM1TAAR1OPRK1
SCHEMBL10719153 0.81 LTA4H (0.48) KMT2A
SCHEMBL10654667 0.80 PRMT5 (0.33) MEN1KMT2APDE4DPDE4APDE4B
SCHEMBL29773826 0.80 CTSL (0.37) MEN1KMT2APDE4DLMNAMAPK1
SCHEMBL7455241 0.80 TAAR1 (0.46) LMNAOPRM1TAAR1OPRK1OPRD1

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-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed