SCHEMBL8545214

SCHEMBL8545214

O=C(NC(=O)[C@@H]1CCCN1CC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.48
HSD11B1 P28845 8/20 0.44
CREBBP Q92793 3/20 0.42
CCR2 P41597 2/20 0.41
CACNA1G O43497 1/20 0.41
CCR1 P32246 1/20 0.41
CTSK P43235 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8545217 1.00 EP300 (0.48) EP300HSD11B1CREBBPCCR2CACNA1G
SCHEMBL8550282 0.93 EP300 (0.42) EP300CREBBPCACNA1GCTSKNPSR1
SCHEMBL8550278 0.93 EP300 (0.42) EP300CREBBPCACNA1GCTSKNPSR1
SCHEMBL8548631 0.90 CTSK (0.41) EP300CREBBPCACNA1GCTSKNPSR1
SCHEMBL8548635 0.90 CTSK (0.41) EP300CREBBPCACNA1GCTSKNPSR1
SCHEMBL8545219 0.85 EP300 (0.54) EP300HSD11B1CACNA1G
SCHEMBL8549403 0.82 ACE (0.42) HSD11B1CACNA1GCTSKNPSR1
SCHEMBL8549394 0.82 ACE (0.42) HSD11B1CACNA1GCTSKNPSR1
SCHEMBL8543065 0.81 CTSK (0.54) CCR2CTSKNPSR1
SCHEMBL8543070 0.81 CTSK (0.54) CCR2CTSKNPSR1

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 6 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
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US 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