SCHEMBL25834893

SCHEMBL25834893

C=CCn1c(=O)n(CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)n(CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL25834995 1.00 CYP3A4 (0.43) CYP3A4NPSR1
SCHEMBL25834886 1.00 CYP3A4 (0.43) CYP3A4NPSR1
SCHEMBL25835002 1.00 CYP3A4 (0.43) CYP3A4NPSR1
SCHEMBL25834890 0.99 CYP3A4 (0.44) CYP3A4NPSR1
SCHEMBL25834882 0.99 CYP3A4 (0.44) CYP3A4NPSR1
SCHEMBL25835004 0.89
SCHEMBL25834897 0.89
SCHEMBL25834883 0.87
SCHEMBL25835152 0.82 CYP3A4 (0.39) CYP3A4NPSR1
SCHEMBL25835270 0.80 CYP3A4 (0.42) CYP3A4NPSR1

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-2023136701-A1 COMPOUND, METHOD FOR PREPARING SAME, AND SINGLE MOLECULE AND OLIGOMER DERIVED FROM SAME 주식회사 엘지화학 2023-07-20 WO disclosed