SCHEMBL22347308

SCHEMBL22347308

CC(C)Oc1ccc(-c2cccc(N(CC34CCC(c5cc(C6(F)CC6)nn5C)(CC3)CC4)C(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.54

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
SCHEMBL25992962 0.90 NR1H4 (0.51) NR1H4
SCHEMBL22354367 0.88 NR1H4 (0.49) NR1H4
SCHEMBL29532192 0.88 NR1H4 (0.49) NR1H4
SCHEMBL22347346 0.84 NR1H4 (0.52) NR1H4
SCHEMBL22347740 0.82 NR1H4 (0.44) NR1H4
SCHEMBL22347310 0.79 NR1H4 (0.39) NR1H4
SCHEMBL29532562 0.78 NR1H4 (0.49) NR1H4
SCHEMBL22347653 0.78 NR1H4 (0.49) NR1H4
SCHEMBL24259498 0.77 NR1H4 (0.48) NR1H4
SCHEMBL22347283 0.77 NR1H4 (0.53) 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