SCHEMBL8544832

SCHEMBL8544832

CN(C(=O)CN1CCC[C@H]1C(=O)NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
EPHX1 P07099 1/20 0.42
FAAH O00519 1/20 0.41
P2RX7 Q99572 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FKBP1A P62942 3/20 0.38
CTSK P43235 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL8546685 0.83 HSD11B1 (0.54) HSD11B1EPHX1FAAHNPSR1FKBP1A
SCHEMBL8546679 0.83 HSD11B1 (0.54) HSD11B1EPHX1FAAHNPSR1FKBP1A
SCHEMBL8544257 0.83 HSD11B1 (0.46) HSD11B1EPHX1FAAHP2RX7NPSR1
SCHEMBL8544264 0.83 HSD11B1 (0.46) HSD11B1EPHX1FAAHP2RX7NPSR1
SCHEMBL8549977 0.80 HSD11B1 (0.44) HSD11B1EPHX1FAAHP2RX7NPSR1
SCHEMBL8544838 0.79 P2RX7 (0.56) HSD11B1EPHX1P2RX7ALDH1A1
SCHEMBL8544794 0.78 NPSR1 (0.47) NPSR1CTSKALDH1A1MAPT
SCHEMBL8544789 0.78 NPSR1 (0.47) NPSR1CTSKALDH1A1MAPT
SCHEMBL8543316 0.77 CTSK (0.53) NPSR1CTSKKMT2AMEN1ALDH1A1
SCHEMBL8543314 0.77 CTSK (0.53) NPSR1CTSKKMT2AMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed