SCHEMBL7906188

SCHEMBL7906188

COc1ccc(C(O)CN)cc1OCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.56
PDE4A P27815 4/20 0.56
PDE4C Q08493 4/20 0.56
PDE4D Q08499 4/20 0.56
NFKB1 P19838 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
ADRB2 P07550 2/20 0.49
DRD2 P14416 2/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
ADRB1 P08588 1/20 0.49
SIGMAR1 Q99720 4/20 0.47

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
SCHEMBL7919811 0.91 NFKB1 (0.55) NFKB1BLMPMP22SIGMAR1
SCHEMBL7916416 0.84 NFKB1 (0.57) PDE4BPDE4APDE4CPDE4DNFKB1
SCHEMBL30352666 0.84 NFKB1 (0.57) PDE4BPDE4APDE4CPDE4DNFKB1
SCHEMBL7919807 0.83 NFKB1 (0.51) PDE4BPDE4APDE4CPDE4DNFKB1
SCHEMBL7914446 0.81 NFKB1 (0.60) PDE4BPDE4APDE4CPDE4DNFKB1
SCHEMBL7906172 0.81 NFKB1 (0.53) NFKB1BLMPMP22SIGMAR1
SCHEMBL7906190 0.79 ADRA2A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7675692 0.77 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7925777 0.77 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL29633151 0.77 NFKB1 (0.75) NFKB1BLMPMP22ADRB2DRD2

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
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed