SCHEMBL8543273

SCHEMBL8543273

O=C(CN1CCC[C@H]1C(=O)NC(=O)c1ccccc1)NCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CCR2 P41597 3/20 0.43
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
DPP4 P27487 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL8544571 0.84 HTT (0.49) SMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL8543591 0.83 NPC1 (0.52) SMN1; SMN2LMNAALDH1A1NPSR1NPC1
SCHEMBL8543596 0.83 NPC1 (0.52) SMN1; SMN2LMNAALDH1A1NPSR1NPC1
SCHEMBL8544794 0.82 NPSR1 (0.47) ALDH1A1NPSR1GAANPC1DPP4
SCHEMBL8544789 0.82 NPSR1 (0.47) ALDH1A1NPSR1GAANPC1DPP4
SCHEMBL8543314 0.81 CTSK (0.53) ALDH1A1NPSR1GAANPC1KMT2A
SCHEMBL8543316 0.81 CTSK (0.53) ALDH1A1NPSR1GAANPC1KMT2A
SCHEMBL8544838 0.79 P2RX7 (0.56) LMNAALDH1A1EPHX1
SCHEMBL8545024 0.78 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1NPSR1GAA
SCHEMBL8545028 0.78 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1NPSR1GAA

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