SCHEMBL22348490

SCHEMBL22348490

O=C(O)Nc1cccc(N(CC23CCC(c4ccc(C(F)(F)F)cn4)(CC2)CC3)C(=O)C23CC(F)(C2)C3)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.72

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
SCHEMBL29458307 0.89 NR1H4 (0.68) NR1H4
SCHEMBL29458260 0.88 NR1H4 (0.78) NR1H4
SCHEMBL22347962 0.87 NR1H4 (0.79) NR1H4
SCHEMBL22348543 0.86 NR1H4 (0.71) NR1H4
SCHEMBL31608449 0.86 NR1H4 (0.71) NR1H4
SCHEMBL25992661 0.85 NR1H4 (0.87) NR1H4
SCHEMBL22348136 0.85 NR1H4 (0.73) NR1H4
SCHEMBL31608470 0.84 NR1H4 (0.69) NR1H4
SCHEMBL31608427 0.84 NR1H4 (0.81) NR1H4
SCHEMBL22348536 0.84 NR1H4 (0.69) 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-3924333-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168149-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed