SCHEMBL6963976

SCHEMBL6963976

CCOC(=O)c1cccnc1C1CNCCN1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 4/20 0.40
OPRK1 P41145 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HSD17B10 Q99714 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
PARP1 P09874 1/20 0.38
BRD4 O60885 1/20 0.38
NUDT1 P36639 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6965262 0.86 MAP2K1 (0.43) ALDH1A1ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL6969370 0.81 BRD4 (0.46) HTTELANEALDH1A1HSD17B10KDM4E
SCHEMBL7526250 0.81 KDM4E (0.44) TSHRALDH1A1L3MBTL1KDM4EPARP1
SCHEMBL5863445 0.78 TSHR (0.45) TSHRHTTUSP2ALDH1A1ADRA1D
Acetic Acid SCHEMBL8435104 0.77 TSHR (0.48) TSHRHTTUSP2ALDH1A1ADRA1D
SCHEMBL9213163 0.76 NUDT1 (0.38) TSHRELANEALDH1A1ADRA1DADRA1A
SCHEMBL2771921 0.75 SLC6A2 (0.36) PARP1
SCHEMBL28049617 0.74 TSHR (0.43) TSHRHTTELANEUSP2ALDH1A1
SCHEMBL10675906 0.73 KDM4E (0.38) ALDH1A1L3MBTL1KDM4EKMT2AGAA
SCHEMBL7535268 0.73 PARP1 (0.36) HTTL3MBTL1PARP1KMT2A

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