SCHEMBL5874622

SCHEMBL5874622

O=C(ON1CCNCC1)C(=O)ON1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHKA P35790 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
SIGMAR1 Q99720 2/20 0.33
HSD11B1 P28845 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28121556 0.89 MEN1 (0.36) CA2CA12CA1CA9CHKA
SCHEMBL5875153 0.84 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL7069922 0.83 ALDH1A1 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL4958163 0.82 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL9721741 0.81 CA2 (0.32) CA2CA12CA1CA9CHKA
SCHEMBL28302693 0.80 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL1083049 0.80 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL30598789 0.80 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL250579 0.80 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL27860248 0.80

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114051-B Antimicrobial compositions 联合利华知识产权控股有限公司 2022-04-08 CN claimed
CN-102123995-A Phenyl-alkyl piperazines with TNF modulating activity SANOFI AVENTIS 2011-07-13 CN claimed
CN-1227241-C Having 5-hydroxytryptamine 1AReceptor-active arylpiperazines LILLY CO ELI (US) 2005-11-16 CN claimed
CN-1290258-A Aryl piperazine compounds with 5-hydroxytryptamine 1A receptor activity LILLY CO ELI (US) 2001-04-04 CN claimed
JP-56034735-A None JP disclosed
CN-110114051-B Antimicrobial compositions 联合利华知识产权控股有限公司 2022-04-08 CN disclosed
CN-112888310-A Additive for stabilizing polyacrylamide copolymer solutions under high shear conditions 巴斯夫欧洲公司 2021-06-01 CN disclosed
CN-102300458-A New herbicides 2011-12-28 CN disclosed
CN-102291989-A Cyclopentadione derived herbicides 2011-12-21 CN disclosed
CN-102123995-A Phenyl-alkyl piperazines with TNF modulating activity SANOFI AVENTIS 2011-07-13 CN disclosed
CN-100355714-C Arylpiperazines having 5-hydroxyl-typtamine activity LILLY CO ELI (US) 2007-12-19 CN disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
CN-1290258-A Aryl piperazine compounds with 5-hydroxytryptamine 1A receptor activity LILLY CO ELI (US) 2001-04-04 CN disclosed
CN-1283195-A 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands NEUROGEN CORP (US) 2001-02-07 CN disclosed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed
CN-1099752-A Novel amidoalkyl-and imidoalkyl-piperazines ASTRA AB (SE) 1995-03-08 CN disclosed
US-4371668-A CARBOXYLIC ACID AMINE SALTS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-02-01 US disclosed
US-4322319-A Rubber composition containing crosslinkable processing aid JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1982-03-30 US disclosed
US-4281085-A USING AN AMINE SALT OF A CARBOXYLIC ACID AS CROSSLINKING AGENT JAPAN SYNTHETIC RUBBER COMPANY, LTD. (JP) 1981-07-28 US disclosed
JP-S5634735-A RUBBER COMPOSITION JAPAN SYNTHETIC RUBBER CO LTD 1981-04-07 JP disclosed