SCHEMBL22348198

SCHEMBL22348198

CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cc(-c5ccc(OC(F)F)cc5)ccn4)(CC2)CC3)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 1.00

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
SCHEMBL22347887 0.92 NR1H4 (0.85) NR1H4
SCHEMBL22348264 0.91 NR1H4 (1.00) NR1H4
SCHEMBL25992045 0.90 NR1H4 (0.84) NR1H4
SCHEMBL22348106 0.86 NR1H4 (1.00) NR1H4
SCHEMBL24259350 0.86 NR1H4 (1.00) NR1H4
SCHEMBL22347557 0.86 NR1H4 (0.82) NR1H4
SCHEMBL24259154 0.85 NR1H4 (1.00) NR1H4
SCHEMBL24259412 0.85 NR1H4 (1.00) NR1H4
SCHEMBL22347397 0.85 NR1H4 (0.88) NR1H4
SCHEMBL22348069 0.85 NR1H4 (0.73) 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