SCHEMBL22354187

SCHEMBL22354187

CCOc1ncc(-c2cncc(N(CC34CCC(c5nc(C(C)(C)C)no5)(CC3)CC4)C(=O)CCC3(F)CCC3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62

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
SCHEMBL22348146 0.86 NR1H4 (0.83) NR1H4
SCHEMBL24259088 0.77 NR1H4 (1.00) NR1H4
SCHEMBL22348140 0.77 NR1H4 (1.00) NR1H4
SCHEMBL22347734 0.77 NR1H4 (0.84) NR1H4
SCHEMBL29532311 0.77 NR1H4 (0.84) NR1H4
SCHEMBL24452461 0.75 NR1H4 (0.75) NR1H4
SCHEMBL24259375 0.74 NR1H4 (1.00) NR1H4
SCHEMBL22347644 0.74 NR1H4 (0.85) NR1H4
SCHEMBL22348239 0.74 NR1H4 (0.75) NR1H4
SCHEMBL22347473 0.74 NR1H4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed