SCHEMBL5866423

SCHEMBL5866423

CN(CC(CCN1CCC(N2CCCN(CC(=O)NCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.61

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
Citric Acid SCHEMBL5866413 0.94 TACR2 (0.56) TACR2
Citric Acid SCHEMBL7048901 0.94 TACR2 (0.56) TACR2
SCHEMBL1387915 0.88 TACR2 (0.70) TACR2
SCHEMBL1387917 0.88 TACR2 (0.70) TACR2
Citric Acid SCHEMBL7044834 0.86 TACR2 (0.58) TACR2
SCHEMBL1388035 0.86 TACR2 (0.73) TACR2
SCHEMBL7047308 0.86 TACR2 (0.73) TACR2
SCHEMBL5866449 0.84 TACR2 (0.49) TACR2
Citric Acid SCHEMBL7046430 0.83 TACR2 (0.59) TACR2
SCHEMBL5866420 0.83 TACR2 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US claimed