SCHEMBL22347648

SCHEMBL22347648

O=[C]/C=C/c1cccc(NCC23CCC(c4ccc(Br)cc4)(CC2)CC3)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.32
P4HB P07237 1/20 0.30
HDAC4 P56524 1/20 0.30
MEF2D Q14814 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
SCHEMBL22347745 0.86 NR1H4 (0.34) NR1H4
SCHEMBL22348079 0.86 NR1H4 (0.44) NR1H4
SCHEMBL22350274 0.86 CCNB2 (0.35) NR1H4
SCHEMBL22348757 0.84 PKM (0.43) HDAC4MEF2D
SCHEMBL22350273 0.83 NR1H4 (0.48) NR1H4HDAC4MEF2D
SCHEMBL25992144 0.77 MAPT (0.44)
SCHEMBL22347911 0.74 PKM (0.49) HDAC4MEF2D
SCHEMBL22350200 0.73 NR1H4 (0.48) NR1H4
SCHEMBL29901055 0.73 NR1H4 (0.48) NR1H4
SCHEMBL22350237 0.73 NR1H4 (0.59) NR1H4HDAC4MEF2D

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-3924329-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168152-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed