SCHEMBL5550951

SCHEMBL5550951

O=C(NC1CC[CH]CC1)c1cc(F)cnc1OC1CCSCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.43
PDE4A P27815 1/20 0.43
PDE4D Q08499 1/20 0.43
HPGD P15428 2/20 0.38
CNR2 P34972 3/20 0.36
TYK2 P29597 4/20 0.35
CNR1 P21554 2/20 0.35
AR P10275 1/20 0.35
SSTR4 P31391 1/20 0.35
ABHD12 Q8N2K0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL8302740 0.88 PDE4B (0.46) PDE4BPDE4APDE4DHPGDCNR2
SCHEMBL8303135 0.88 PDE4B (0.44) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL4187279 0.88 PDE4B (0.44) PDE4BPDE4APDE4DHPGDTYK2
Hydrochloric Acid SCHEMBL4185098 0.87 PDE4B (0.44) PDE4BPDE4APDE4DHPGDTYK2
SCHEMBL4187275 0.86 PDE4B (0.43) PDE4BPDE4APDE4DHPGDCNR2
SCHEMBL5547933 0.85 PDE4B (0.55) PDE4BPDE4APDE4DHPGDCNR2
SCHEMBL8303245 0.85 PDE4B (0.50) PDE4BPDE4APDE4DHPGDCNR2
SCHEMBL4182884 0.85 PDE4B (0.50) PDE4BPDE4APDE4DHPGDCNR2
SCHEMBL13929105 0.85 PDE4B (0.50) PDE4BPDE4APDE4DHPGDCNR2
SCHEMBL8301516 0.84 PDE4B (0.43) PDE4BPDE4APDE4DCNR2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed