SCHEMBL6969370

SCHEMBL6969370

CCOC(=O)c1ncccc1C1CNCCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
KDM4E B2RXH2 3/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.38
TDP2 O95551 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ELANE P08246 1/20 0.37
PDE4A P27815 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 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 0.81 TSHR (0.47) BRD4KDM4ECASP1HSD17B10HTT
SCHEMBL5863445 0.78 TSHR (0.45) KDM4EHSD17B10HTTMEN1ALDH1A1
Acetic Acid SCHEMBL8435104 0.77 TSHR (0.48) KDM4EHSD17B10HTTMEN1ALDH1A1
SCHEMBL9213163 0.76 NUDT1 (0.38) CASP1MEN1ALDH1A1KMT2AELANE
SCHEMBL10675906 0.73 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL1241236 0.72 BRD4 (0.44) BRD4
SCHEMBL108857 0.70 BRD4 (0.63) BRD4KDM4ECASP1HSD17B10HTT
SCHEMBL6965262 0.69 MAP2K1 (0.43) KDM4EALDH1A1RAB9ATDP1POLB
SCHEMBL1737254 0.69 BRD4 (0.61) BRD4HSD17B10HTTTDP2ALDH1A1
SCHEMBL1240286 0.69 BRD4 (0.61) BRD4KDM4ECASP1HSD17B10HTT

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 9 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
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