SCHEMBL22354075

SCHEMBL22354075

COc1cc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)OC4)C(=O)[C@H]3CC4(F)CC3C4)c2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.64

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
SCHEMBL25992546 0.87 NR1H4 (0.83) NR1H4
SCHEMBL29531579 0.87 NR1H4 (0.83) NR1H4
SCHEMBL24259160 0.84 NR1H4 (0.63) NR1H4
SCHEMBL22354076 0.84 NR1H4 (0.61) NR1H4
SCHEMBL22353488 0.82 NR1H4 (0.65) NR1H4
SCHEMBL22353876 0.81 NR1H4 (0.77) NR1H4
SCHEMBL22354046 0.80 NR1H4 (0.77) NR1H4
SCHEMBL22348151 0.78 NR1H4 (1.00) NR1H4
SCHEMBL22348160 0.78 NR1H4 (1.00) NR1H4
SCHEMBL24259138 0.78 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