SCHEMBL6176786

SCHEMBL6176786

CCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C(=O)O)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 3/20 0.47
HTR7 P34969 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
DRD4 P21917 1/20 0.45

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
SCHEMBL6414971 0.99 POLB (0.50) POLBMEN1KMT2ANPC1LMNA
SCHEMBL6419494 0.92 POLB (0.50) POLBMEN1KMT2ANPC1LMNA
SCHEMBL6414969 0.91 POLB (0.49) POLBMEN1KMT2ANPC1LMNA
SCHEMBL5657841 0.90 HTR1A (0.55) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL5657975 0.89 MAPT (0.59) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL14457597 0.89 DRD2 (0.52) POLBMEN1KMT2ANPC1LMNA
SCHEMBL5657782 0.89 KMT2A (0.63) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL5656137 0.89 NPC1 (0.51) POLBMEN1KMT2ANPC1LMNA
SCHEMBL5656207 0.88 NPC1 (0.65) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL6414717 0.86 POLB (0.45) POLBMEN1KMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530564-A2 COMPOUNDS DERIVED FROM ARYL CARBAMATES, PREPARATION THEREOF AND USES OF SAME Cerep (FR) 2005-05-18 EP claimed
WO-2004018436-A2 COMPOUNDS DERIVED FROM ARYL CARBAMATES, PREPARATION THEREOF AND USES OF SAME CEREP (FR) 2004-03-04 WO claimed
EP-1530564-A2 COMPOUNDS DERIVED FROM ARYL CARBAMATES, PREPARATION THEREOF AND USES OF SAME Cerep (FR) 2005-05-18 EP disclosed
WO-2004018436-A2 COMPOUNDS DERIVED FROM ARYL CARBAMATES, PREPARATION THEREOF AND USES OF SAME CEREP (FR) 2004-03-04 WO disclosed