SCHEMBL1807976

SCHEMBL1807976

CCOC(=O)c1n[nH]c(-c2ncccc2Cl)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
BRD4 O60885 1/20 0.41
TDP2 O95551 3/20 0.40
NPSR1 Q6W5P4 4/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 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
SCHEMBL1806327 0.89 KDM4E (0.44) MAPTALDH1A1KDM4EPOLBBRD4
SCHEMBL1803979 0.87 TDP2 (0.43) LMNAKDM4EPOLBBRD4TDP2
SCHEMBL1803650 0.78 MEN1 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL10919890 0.75 TDP2 (0.43) MAPTALDH1A1KDM4EPOLBBRD4
SCHEMBL14471201 0.75 SMN1; SMN2 (0.49) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL13238931 0.75 NUDT1 (0.50) MAPTALDH1A1BRD4HTTMAPK1
SCHEMBL1806148 0.74 KDM4E (0.46) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL1809016 0.74 KDM4E (0.48) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL1806255 0.73 METAP2 (0.38) MAPTALDH1A1KDM4ENPSR1ALOX15
SCHEMBL1495328 0.73 BRD4 (0.60) MAPTALDH1A1LMNABRD4TDP2

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-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed