SCHEMBL8550278

SCHEMBL8550278

O=C(NC(=O)[C@@H]1CCCN1CC(=O)C1(c2ccccc2)CCCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.42
CREBBP Q92793 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CACNA1G O43497 1/20 0.40
HDAC4 P56524 2/20 0.40
LMNA P02545 1/20 0.39
CTSK P43235 2/20 0.39
GAA P10253 1/20 0.39
CHRM3 P20309 1/20 0.38
SLC18A3 Q16572 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8550282 1.00 EP300 (0.42) EP300CREBBPMEN1KMT2AHDAC1
SCHEMBL8545217 0.93 EP300 (0.48) EP300CREBBPNPSR1CACNA1GCTSK
SCHEMBL8548631 0.93 CTSK (0.41) EP300CREBBPMEN1KMT2ANPSR1
SCHEMBL8545214 0.93 EP300 (0.48) EP300CREBBPNPSR1CACNA1GCTSK
SCHEMBL8548635 0.93 CTSK (0.41) EP300CREBBPMEN1KMT2ANPSR1
SCHEMBL8549394 0.86 ACE (0.42) NPSR1CACNA1GCTSKGAASMN1; SMN2
SCHEMBL8549403 0.86 ACE (0.42) NPSR1CACNA1GCTSKGAASMN1; SMN2
SCHEMBL8550285 0.83 FKBP1A (0.49) EP300CACNA1GSMN1; SMN2
SCHEMBL8544789 0.81 NPSR1 (0.47) NPSR1CTSKGAA
SCHEMBL8544794 0.81 NPSR1 (0.47) NPSR1CTSKGAA

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