SCHEMBL6965268

SCHEMBL6965268

COC(=O)c1cccnc1N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.56
HRH3 Q9Y5N1 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2488542 0.95 OPRK1 (0.55) OPRK1HRH3MEN1KMT2AL3MBTL1
SCHEMBL30397636 0.87 L3MBTL1 (0.62) OPRK1HRH3MEN1KMT2ALMNA
SCHEMBL38658667 0.87 L3MBTL1 (0.62) OPRK1HRH3MEN1KMT2ALMNA
SCHEMBL2454645 0.85 OPRK1 (0.57) OPRK1KMT2ALMNAMAPT
SCHEMBL2222519 0.85 MAPT (0.67) OPRK1HRH3KDM4EKMT2ALMNA
SCHEMBL7238484 0.84 CHIA (0.66) OPRK1HRH3KDM4EKMT2ALMNA
SCHEMBL7241637 0.84 OPRK1 (0.55) OPRK1HRH3KDM4EKMT2ALMNA
Hydrochloric Acid SCHEMBL2222043 0.84 MAPT (0.66) OPRK1HRH3KDM4EKMT2ALMNA
SCHEMBL6181431 0.84 EPHX2 (0.52) KMT2ALMNAMAPTL3MBTL1
SCHEMBL16105029 0.83 OPRK1 (0.61) OPRK1HRH3LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
CN-1088459-C 1,4-disubstituted piperazines NOVO NORDISK AS (DK) 2002-07-31 CN 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
CN-1234799-A 1,4-disubstituted piperazines NOVO NORDISK AS (DK) 1999-11-10 CN 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
CN-1016691-B PROCESS FOR PREPARATION OF ANTIPSYCHOTIC CYCLIC IMIDE DERIVATIVES OF 2-(4-BUTYLPIPERAZIN-1-YL) PHRIDINES BRISTOL MYERS CO (US) 1992-05-20 CN disclosed
US-4757073-A Antipsychotic agents BRISTOL-MYERS COMPANY (US) 1988-07-12 US disclosed
US-4619930-A Antipsychotic cyclic imide derivatives of 2-(4-butylpiperazin-1-yl)pyridines, compositions and use BRISTOL-MYERS COMPANY (US) 1986-10-28 US disclosed