SCHEMBL22347284

SCHEMBL22347284

CC(C)Oc1ccc(-c2cccc(NC(=O)OCC34CCC(c5cc(C(C)(F)F)on5)(CC3)CC4)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.39
MGLL Q99685 6/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL22347471 0.85 NR1H4 (0.49) NR1H4
SCHEMBL22347347 0.85 MGLL (0.37) NR1H4MGLLMEN1KMT2ACNR1
SCHEMBL22347283 0.79 NR1H4 (0.53) NR1H4
SCHEMBL25992970 0.77 NR1H4 (0.52) NR1H4
SCHEMBL22347310 0.77 NR1H4 (0.39) NR1H4MGLLCNR1
SCHEMBL22354362 0.76 NR1H4 (0.51) NR1H4
SCHEMBL22347393 0.72 NR1H4 (0.58) NR1H4MGLL
SCHEMBL22347553 0.70 NR1H4 (0.54) NR1H4
SCHEMBL22347489 0.70 KMT2A (0.36) NR1H4KMT2A
SCHEMBL22347370 0.65 DRD2 (0.32) NR1H4

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-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed