SCHEMBL5728913

SCHEMBL5728913

CC(C)(C)OC(=O)C1NCCNC1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
SLC1A2 P43004 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL24039255 0.84 MAPK1 (0.37) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL2677786 0.82 CHRM2 (0.35) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL4429527 0.82 CHRM2 (0.35) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL6861278 0.82 CHRM2 (0.35) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL27539230 0.80 ARG1 (0.33) HRH3SLC1A2
SCHEMBL6861146 0.79 CHRM2 (0.33) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL18421811 0.79 SLC1A2 (0.32) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL20146370 0.78 MAPK1 (0.39) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL12909511 0.78 MAPK1 (0.39) MAPK1RECQLHRH3CHRM2CHRM1
SCHEMBL27791565 0.78 SLC1A2 (0.36) SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140551-A Radiation-sensitive resin composition, polymer, and compound JSR CORP 2013-06-05 CN disclosed
EP-0937069-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2006-05-03 EP disclosed
EP-0823906-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-07-09 EP disclosed
EP-0850236-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-07-04 EP disclosed
EP-1047698-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 2000-11-02 EP disclosed
US-6051575-A RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 2000-04-18 US disclosed
US-5981520-A USEFUL FOR TREATING ASTHMA, BRONCHOSPASM, ALLERGIES, ANXIETY, COUGHING OR PAIN SCHERING CORPORATION (US) 1999-11-09 US disclosed
EP-0950058-A1 SPIRO-SUBSTITUTED AZACYCLIC-SUBSTITUTED PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-10-20 EP disclosed
US-5968929-A USEFUL IN THE TREATMENT OF CHRONIC AIRWAY DISEASES SUCH AS ASTHMA SCHERING CORPORATION (US) 1999-10-19 US disclosed
EP-0937069-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-08-25 EP disclosed
WO-1999036424-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-07-22 WO disclosed
US-5869488-A Piperazino derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1999-02-09 US disclosed
US-5795894-A TREATMENT OF ASTHMA AND BRONCHOSPASM SCHERING CORPORATION (US) 1998-08-18 US disclosed
US-5783579-A Spiro-substituted azacyclic-substituted piperazino derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1998-07-21 US disclosed
WO-1998028297-A1 SPIRO-SUBSTITUTED AZACYCLIC-SUBSTITUTED PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-07-02 WO disclosed
EP-0850236-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-07-01 EP disclosed
WO-1998018788-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-05-07 WO disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1997008166-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-03-06 WO disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 WO disclosed