SCHEMBL8767847

SCHEMBL8767847

Fc1cc([C@H]2CC[C@H]([C@H]3CC[C@H](CCC4CCCC4)CC3)CC2)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.36
EPHX2 P34913 6/20 0.35
ESR2 Q92731 2/20 0.35
HPGD P15428 1/20 0.34
S1PR1 P21453 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
OPRL1 P41146 2/20 0.33
CHRM2 P08172 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL8767623 0.96 PDE2A (0.38) PDE2AEPHX2ESR2HPGDS1PR1
SCHEMBL8767621 0.96 PDE2A (0.38) PDE2AEPHX2ESR2HPGDS1PR1
SCHEMBL8767773 0.91 EPHX2 (0.36) PDE2AEPHX2ESR2HPGDS1PR1
SCHEMBL8767778 0.91 EPHX2 (0.36) PDE2AEPHX2ESR2HPGDS1PR1
SCHEMBL8768349 0.91 EPHX2 (0.39) PDE2AEPHX2S1PR1HCRTR1HCRTR2
SCHEMBL8767044 0.90 EPHX2 (0.35) PDE2AEPHX2ESR2HPGDS1PR1
SCHEMBL8767039 0.90 EPHX2 (0.35) PDE2AEPHX2ESR2HPGDS1PR1
SCHEMBL20967289 0.89 S1PR1 (0.39) PDE2AEPHX2S1PR1HCRTR1HCRTR2
SCHEMBL8771358 0.89 CYP2C9 (0.41) PDE2AEPHX2HCRTR1HCRTR2
SCHEMBL3437359 0.89 CYP2C9 (0.41) PDE2AEPHX2HCRTR1HCRTR2

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed