SCHEMBL6965262

SCHEMBL6965262

COC(=O)c1cccnc1C1CNCCN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.42
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A3 Q01959 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 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
SCHEMBL6963976 0.86 TSHR (0.47) PARP1ALDH1A1KDM4EL3MBTL1ADRA1D
SCHEMBL7526250 0.84 KDM4E (0.44) TDP1PARP1ALDH1A1KDM4EL3MBTL1
SCHEMBL4516849 0.79 SLC6A2 (0.44) PARP1ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL7535268 0.75 PARP1 (0.36) PARP1L3MBTL1
SCHEMBL31078684 0.75 TDP1 (0.41) MAP2K1TDP1CNR2KDM4EL3MBTL1
SCHEMBL2771921 0.75 SLC6A2 (0.36) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL27913830 0.75 TDP1 (0.50) MAP2K1TDP1CNR2ALDH1A1KDM4E
SCHEMBL9183744 0.75 KDM4E (0.38) CNR2PARP1ALDH1A1KDM4E
SCHEMBL6965263 0.74 KDM4E (0.43) MAP2K1PARP1ALDH1A1KDM4EL3MBTL1
SCHEMBL2563830 0.72 ALDH1A1 (0.53) MAP2K1TDP1CNR2ALDH1A1KDM4E

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