SCHEMBL8774050

SCHEMBL8774050

CCCCCC1CCC(C(C)c2ccc(-c3cc(F)c(F)nc3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GCGR P47871 2/20 0.32

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
SCHEMBL8775030 0.99 GAA (0.35) GAAMAPTGCGR
SCHEMBL8774099 0.97 GAA (0.31) GAAMAPTGCGR
SCHEMBL8774414 0.92 TRPV3 (0.32)
SCHEMBL8774393 0.90 GAA (0.32) GAAMAPTGCGR
SCHEMBL8774613 0.87 TRPV3 (0.37)
SCHEMBL9244209 0.85 GAA (0.34) GAAMAPT
SCHEMBL9250236 0.84 GAA (0.36) GAAMAPTGCGR
SCHEMBL9154681 0.83 GAA (0.33) GAAMAPT
SCHEMBL8774053 0.83 RARB (0.38) GAAMAPT
SCHEMBL8774058 0.83 RARB (0.38) GAAMAPT

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed