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Sugi Predict / Compounds / SCHEMBL5684174

SCHEMBL5684174

SCHEMBL5684174

CC/C=C/C1CCC2C(CCC3CC(c4ccc(OC(F)(F)F)c(F)c4)CCC32)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.33
▸ KDM1A O60341 4/20 0.32
▸ EPHX2 P34913 4/20 0.32
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30

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
SCHEMBL5684167 1.00 PDE2A (0.33) PDE2AKDM1AEPHX2HCRTR1HCRTR2
SCHEMBL5684417 0.92 PDE2A (0.33) PDE2AKDM1AEPHX2
SCHEMBL5684415 0.92 PDE2A (0.33) PDE2AKDM1AEPHX2
SCHEMBL5885274 0.89 PDE2A (0.33) PDE2AKDM1AEPHX2
SCHEMBL5885281 0.89 PDE2A (0.33) PDE2AKDM1AEPHX2
SCHEMBL6456684 0.87 PDE2A (0.34) PDE2AKDM1AEPHX2HCRTR1HCRTR2
SCHEMBL6456679 0.87 PDE2A (0.34) PDE2AKDM1AEPHX2HCRTR1HCRTR2
SCHEMBL6456687 0.87 PDE2A (0.34) PDE2AKDM1AEPHX2HCRTR1HCRTR2
SCHEMBL5684860 0.87 — —
SCHEMBL5684864 0.87 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 — — US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 — — EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 — — EP disclosed