SCHEMBL13998625

SCHEMBL13998625

CCCC1(C)SC(N[C@@H]2CC3CC[C@@H]2C3)=NC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.39
P2RX7 Q99572 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 1/20 0.31
EPHX2 P34913 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 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
SCHEMBL1606529 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1606525 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1604943 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL14531577 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1604940 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1604697 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL5016455 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1604698 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1560406 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3
SCHEMBL1604699 1.00 HSD11B1 (0.39) HSD11B1P2RX7JAK2JAK1TAS1R3

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
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed