SCHEMBL6965263

SCHEMBL6965263

COC(=O)c1cnccc1C1CNCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PARP1 P09874 1/20 0.36
AXL P30530 1/20 0.35
MAP2K1 Q02750 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
HSD17B10 Q99714 3/20 0.33
SLC6A3 Q01959 2/20 0.33
SSTR4 P31391 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL9213163 0.86 NUDT1 (0.38) ALDH1A1KMT2ACASP1
SCHEMBL9208694 0.85 KDM4E (0.47) KDM4EALDH1A1GLAGAALMNA
SCHEMBL11300941 0.85 KDM4C (0.39) KDM4EALDH1A1L3MBTL1PARP1KMT2A
SCHEMBL4516849 0.81 SLC6A2 (0.44) KDM4EALDH1A1LMNAMAPK10PARP1
SCHEMBL24933608 0.75 KDM4E (0.53) KDM4EALDH1A1GLAGAALMNA
SCHEMBL30753067 0.75 KDM4E (0.53) KDM4EALDH1A1GLAGAALMNA
SCHEMBL6965262 0.74 MAP2K1 (0.43) KDM4EALDH1A1L3MBTL1PARP1MAP2K1
SCHEMBL31056598 0.74 SLC6A2 (0.37) PARP1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL29323708 0.74 SLC6A2 (0.37) PARP1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL31056540 0.72 SLC6A2 (0.38) KDM4EALDH1A1GLAGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
US-5916889-A ANTIDIABETIC AGENT; DIETETICS NOVO NORDISK A/S (DK) 1999-06-29 US disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed
EP-0385351-B1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1995-01-11 EP disclosed
US-5025012-A Cardiovascular disorders; antiischemic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-18 US disclosed
EP-0385351-A1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP disclosed