SCHEMBL7027993

SCHEMBL7027993

CCC/C=C/[C@H]1CC[C@H](CCC2CCC(c3cc(F)c(COC)c(F)c3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.31

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
SCHEMBL8390829 0.91
SCHEMBL7028391 0.91
SCHEMBL7031689 0.86 OPRL1 (0.33) OPRL1
SCHEMBL7031742 0.86 KDM5A (0.32) OPRL1
SCHEMBL8448813 0.86 CYP2C9 (0.32)
SCHEMBL7021660 0.84 CYP2C9 (0.40) OPRL1
SCHEMBL8454510 0.84
SCHEMBL7027994 0.84 ESR2 (0.32)
SCHEMBL8454672 0.82 CYP2C9 (0.30)
SCHEMBL7030674 0.82 OPRL1 (0.31) OPRL1

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-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed