SCHEMBL8774393

SCHEMBL8774393

CCCCCC1CCC(C(C)c2ccc(-c3cc(F)c(F)nc3Cl)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GCGR P47871 1/20 0.30
CRHR1 P34998 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8775149 0.93 SLC6A2 (0.32) CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL8774050 0.90 GAA (0.34) GAAMAPTGCGR
SCHEMBL8775030 0.89 GAA (0.35) GAAMAPTGCGR
SCHEMBL8774622 0.88 TRPV3 (0.35) CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL8774099 0.87 GAA (0.31) GAAMAPTGCGR
SCHEMBL8774400 0.84 RARB (0.36) GAAMAPT
SCHEMBL8774257 0.84 MAPT (0.38) GAAMAPT
SCHEMBL8774245 0.84 MAPT (0.38) GAAMAPT
SCHEMBL8774407 0.84 RARB (0.36) GAAMAPT
SCHEMBL8774489 0.83 MAPT (0.40) 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