SCHEMBL8767897

SCHEMBL8767897

Fc1cc([C@H]2CC[C@H]([C@H]3CC[C@H](CCC4CCCC4)CC3)CC2)cc(F)c1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ESR2 Q92731 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL8766976 0.97 OPRL1 (0.32) OPRL1
SCHEMBL8766980 0.97 OPRL1 (0.32) OPRL1
SCHEMBL8766971 0.97 OPRL1 (0.32) OPRL1
SCHEMBL8768286 0.95 SIGMAR1 (0.31) OPRL1PDE4APDE4BPDE4CPDE4D
SCHEMBL8767240 0.95 OPRL1 (0.31) OPRL1PDE4APDE4BPDE4CPDE4D
SCHEMBL8768320 0.92 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL8767054 0.90 SIGMAR1 (0.33) OPRL1PDE4APDE4BPDE4CPDE4D
SCHEMBL8767047 0.90 SIGMAR1 (0.33) OPRL1PDE4APDE4BPDE4CPDE4D
SCHEMBL8768460 0.89 SIGMAR1 (0.36) OPRL1PDE4APDE4BPDE4CPDE4D
SCHEMBL8768452 0.89 SIGMAR1 (0.36) OPRL1PDE4APDE4BPDE4CPDE4D

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