SCHEMBL22347702

SCHEMBL22347702

CC(C)(O)C12CCC(c3ccnc(NC(=O)OCC45CCC(c6nc(C7CC7)no6)(CC4)CC5)n3)(CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.42

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
SCHEMBL22347846 0.84 NR1H4 (0.42) NR1H4
SCHEMBL22347459 0.81 NR1H4 (0.49) NR1H4
SCHEMBL29531677 0.77 NR1H4 (0.46) NR1H4
SCHEMBL22354389 0.74 NR1H4 (0.47) NR1H4
SCHEMBL24259535 0.74 NR1H4 (0.34) NR1H4
SCHEMBL22347833 0.71 NR1H4 (0.41) NR1H4
SCHEMBL22347830 0.69 NR1H4 (0.49) NR1H4
SCHEMBL22347756 0.69 NR1H4 (0.40) NR1H4
SCHEMBL24259432 0.69 NR1H4 (0.46) NR1H4
SCHEMBL29531764 0.68 NR1H4 (0.47) 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