SCHEMBL22348188

SCHEMBL22348188

O=C(N(CC12CCC(c3ccc(C(F)(F)F)cn3)(CC1)CC2)c1cccc(-c2ccc(OC(F)F)cn2)c1)C12CC(F)(C1)C2

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.85

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
SCHEMBL25992664 0.92 NR1H4 (1.00) NR1H4
SCHEMBL25992666 0.88 NR1H4 (0.75) NR1H4
SCHEMBL29458261 0.88 NR1H4 (0.76) NR1H4
SCHEMBL24259520 0.86 NR1H4 (0.64) NR1H4
SCHEMBL22348600 0.86 NR1H4 (0.81) NR1H4
SCHEMBL31608427 0.86 NR1H4 (0.81) NR1H4
SCHEMBL22348667 0.85 NR1H4 (0.79) NR1H4
SCHEMBL31608481 0.85 NR1H4 (0.79) NR1H4
SCHEMBL24259228 0.84 NR1H4 (1.00) NR1H4
SCHEMBL22353590 0.84 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 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