SCHEMBL5076571

SCHEMBL5076571

CN(C[C@@H](CCN1CC(N2CCC(COC(N)=O)CC2)C1)c1ccc(F)cc1)C(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.45
CCR5 P51681 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
SCHEMBL5799585 0.87 TACR2 (0.51) TACR2
SCHEMBL4255121 0.87 TACR2 (0.51) TACR2
SCHEMBL5072780 0.86 TACR2 (0.48) TACR2
SCHEMBL5072781 0.86 TACR2 (0.48) TACR2
SCHEMBL5073372 0.84 TACR2 (0.49) TACR2CCR5
SCHEMBL4260405 0.84 TACR2 (0.63) TACR2
SCHEMBL5312978 0.84 TACR2 (0.63) TACR2
SCHEMBL5138161 0.83 TACR2 (0.49) TACR2CCR5
Hydrochloric Acid SCHEMBL4259647 0.83 TACR2 (0.62) TACR2
SCHEMBL4415461 0.82 TACR2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899318-A1 NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES AstraZeneca AB (SE) 2008-03-19 EP disclosed
WO-2006137791-A1 NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed