SCHEMBL6869169

SCHEMBL6869169

COC(=O)C1CCN(CCCC(N)=O)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
FKBP1A P62942 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSP90AA1 P07900 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 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
SCHEMBL7511684 0.86 BRD4 (0.60) BRD4SMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL9057201 0.80 BRD4 (0.50) BRD4SMN1; SMN2FKBP1AHPGDMAPT
SCHEMBL6873102 0.78 BRD4 (0.47) BRD4RAB9A
SCHEMBL5048047 0.78 FKBP1A (0.40) BRD4SMN1; SMN2FKBP1AL3MBTL1HPGD
SCHEMBL6873311 0.75 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL15042048 0.75 BRD4 (0.70) BRD4SMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL15042122 0.75 BRD4 (0.60) BRD4SMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL16059156 0.75 APEX1 (0.36) L3MBTL1POLB
SCHEMBL14636507 0.75 BRD4 (0.69) BRD4SMN1; SMN2TP53ALDH1A1NPSR1
SCHEMBL16058256 0.74 L3MBTL1 (0.36) BRD4L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395560-A1 2-OXO-PIPERIDINYL- AND 2-OXO-AZEPANYL ALKANOIC ACID DERIVATIV ES FOR THE TREATMENT OF EPILEPSY AND OTHER NEUROLOGICAL DISORDERS UCB, S.A. (BE) 2004-03-10 EP disclosed
WO-2002094787-A1 2-OXO-PIPERIDINYL- AND 2-OXO-AZEPANYL ALKANOIC ACID DERIVATIV ES FOR THE TREATMENT OF EPILEPSY AND OTHER NEUROLOGICAL DISORDERS UCB, S.A. (BE) 2002-11-28 WO disclosed