SCHEMBL5800848

SCHEMBL5800848

CN(CC(CCN1CC(N2CCC(F)CC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.66

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
SCHEMBL4262600 1.00 TACR2 (0.66) TACR2
SCHEMBL5802168 0.94 TACR2 (0.65) TACR2
SCHEMBL4264167 0.94 TACR2 (0.65) TACR2
SCHEMBL4263071 0.91 TACR2 (0.63) TACR2
SCHEMBL5809127 0.91 TACR2 (0.63) TACR2
SCHEMBL13754779 0.90 TACR2 (0.61) TACR2
SCHEMBL4258295 0.89 TACR2 (0.51) TACR2
SCHEMBL5798549 0.89 TACR2 (0.51) TACR2
Acetic Acid SCHEMBL5013598 0.89 TACR2 (0.63) TACR2
Acetic Acid SCHEMBL5015222 0.88 TACR2 (0.61) TACR2

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 4 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
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO disclosed
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