SCHEMBL9250236

SCHEMBL9250236

CCCCCCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
APLNR P35414 4/20 0.33
GCGR P47871 3/20 0.31
TP53 P04637 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
SCHEMBL9244209 0.99 GAA (0.34) GAAMAPTAPLNR
SCHEMBL9250333 0.95 APLNR (0.34) GAAMAPTAPLNR
SCHEMBL9766719 0.93 APLNR (0.33) GAAAPLNR
SCHEMBL9249912 0.91 APLNR (0.32) APLNR
SCHEMBL9154681 0.88 GAA (0.33) GAAMAPT
SCHEMBL9253040 0.86 TRPV3 (0.33) APLNR
SCHEMBL8775030 0.86 GAA (0.35) GAAMAPTGCGR
SCHEMBL8774050 0.84 GAA (0.34) GAAMAPTGCGR
SCHEMBL9159148 0.84 MEN1 (0.31) GAA
SCHEMBL9766630 0.83 MEN1 (0.30) GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 EP disclosed
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed