SCHEMBL8774099

SCHEMBL8774099

CCCCC1CCC(C(C)c2ccc(-c3cc(F)c(F)nc3F)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
GCGR P47871 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
SCHEMBL8774050 0.97 GAA (0.34) GAAMAPTGCGR
SCHEMBL8775030 0.96 GAA (0.35) GAAMAPTGCGR
SCHEMBL8774414 0.93 TRPV3 (0.32)
SCHEMBL8774613 0.88 TRPV3 (0.37)
SCHEMBL8774393 0.87 GAA (0.32) GAAMAPTGCGR
SCHEMBL9250333 0.85 APLNR (0.34) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9159148 0.83 MEN1 (0.31) GAAMEN1MAPK1KMT2A
SCHEMBL9766719 0.83 APLNR (0.33) GAAMEN1MAPK1KMT2A
SCHEMBL8775149 0.83 SLC6A2 (0.32)
SCHEMBL8774107 0.82 GPR84 (0.38) GAAMEN1MAPK1KMT2AMAPT

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