SCHEMBL19819954

SCHEMBL19819954

CC(C)(C)OC(=O)N1CC(CO)[C@@H](C(F)(F)F)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
PDE4B Q07343 2/20 0.44
NAMPT P43490 1/20 0.42
RORC P51449 1/20 0.41
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VNN1 O95497 1/20 0.38
LIPE Q05469 2/20 0.37
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL17137360 1.00 NR1H2 (0.54) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL17137357 1.00 NR1H2 (0.54) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL19819953 0.88 NR1H2 (0.48) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL19211019 0.88 NR1H2 (0.47) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL30721755 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL2930155 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL2937360 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL1014216 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL30835821 0.84 NR1H2 (0.59) NR1H2PDE4BNAMPTRORCUSP2
SCHEMBL19123143 0.84 NR1H2 (0.59) NR1H2PDE4BNAMPTRORCUSP2

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
US-9879022-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2018-01-30 US disclosed