SCHEMBL5798690

SCHEMBL5798690

CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.54
TACR1 P25103 5/20 0.54
TACR3 P29371 5/20 0.54
PRCP P42785 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
SCHEMBL4266545 1.00 TACR2 (0.54) TACR2TACR1TACR3PRCP
SCHEMBL4256233 0.91 TACR2 (0.54) TACR2TACR1TACR3
SCHEMBL5810226 0.90 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5013628 0.90 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5011837 0.90 TACR2 (0.53) TACR2TACR1TACR3
Acetic Acid SCHEMBL4262955 0.88 TACR2 (0.52) TACR2TACR1TACR3
Acetic Acid SCHEMBL4256160 0.88 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5137068 0.87 TACR2 (0.53) TACR2TACR1TACR3
SCHEMBL5013875 0.86 TACR2 (0.56) TACR2TACR1TACR3
SCHEMBL5814301 0.85 TACR2 (0.50) TACR2TACR1TACR3PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO claimed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO claimed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed