SCHEMBL9766630

SCHEMBL9766630

CCCC1CCC(C(C)c2ccc(-c3ccc(Cl)nc3F)cc2)CC1.CCCCC1CCC(C(C)c2ccc(-c3ccc(Cl)nc3F)cc2)CC1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL9159148 0.99 MEN1 (0.31) MEN1GAAMAPK1KMT2A
SCHEMBL9154681 0.96 GAA (0.33) GAA
SCHEMBL9159896 0.96 SLC6A2 (0.31)
SCHEMBL9766719 0.90 APLNR (0.33) MEN1GAAMAPK1KMT2A
SCHEMBL9250333 0.88 APLNR (0.34) MEN1GAAMAPK1KMT2A
SCHEMBL9158982 0.88 TRPV3 (0.32)
SCHEMBL9249912 0.85 APLNR (0.32)
SCHEMBL9244209 0.84 GAA (0.34) GAA
SCHEMBL9250236 0.83 GAA (0.36) GAA
SCHEMBL9766632 0.83 MAOB (0.35) MEN1GAAMAPK1KMT2A

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-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed