SCHEMBL3723280

SCHEMBL3723280

O=C(O)N1CCC(C2COC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
TSHR P16473 2/20 0.32
NAMPT P43490 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GNAI3 P08754 5/20 0.32
GNAO1 P09471 5/20 0.32
GNAI1 P63096 5/20 0.32
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1936310 0.88 HSD11B1 (0.37) HSD11B1TSHRGPR119GNAI3GNAO1
SCHEMBL8309136 0.85 HSD11B1 (0.36) HSD11B1GPR119GNAI3GNAO1GNAI1
SCHEMBL23089850 0.81 HSD11B1 (0.46) HSD11B1TSHRMBTD1L3MBTL3ITGB3
SCHEMBL20668089 0.79 MBTD1 (0.46) HSD11B1TSHRMBTD1L3MBTL3ITGB3
SCHEMBL144841 0.76 GNAI3 (0.50) TSHRGNAI3GNAO1GNAI1MBTD1
SCHEMBL4473669 0.76 L3MBTL3 (0.44) MBTD1L3MBTL3
SCHEMBL30484935 0.76 CHRNB2 (0.44) GNAI3GNAO1GNAI1L3MBTL3
SCHEMBL1934485 0.75 DPP4 (0.37) TSHRL3MBTL3
SCHEMBL18428929 0.75 THRB (0.40)
SCHEMBL14749013 0.75 DPP4 (0.37) GPR119SMN1; SMN2

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-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed