SCHEMBL21145995

SCHEMBL21145995

COC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)N2C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.36
HTR3A P46098 11/20 0.34
JAK1 P23458 2/20 0.32
KDM5A P29375 1/20 0.32
TSHR P16473 1/20 0.31
JAK2 O60674 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL14208073 0.75
SCHEMBL16249769 0.75
SCHEMBL14752927 0.73
SCHEMBL21145990 0.73 CHRNB2 (0.42) TSHR
SCHEMBL23475238 0.72 LMNA (0.43)
SCHEMBL21146011 0.72 LMNA (0.43)
SCHEMBL21145980 0.72 LMNA (0.43)
SCHEMBL23475240 0.72 LMNA (0.43)
SCHEMBL21145993 0.72 LMNA (0.43)
SCHEMBL23475169 0.71 BTK (0.50) JAK1JAK2

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-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 WO disclosed