SCHEMBL756153

SCHEMBL756153

CN(C[C@@H](CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.61
TACR1 P25103 6/20 0.61
TACR3 P29371 5/20 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
SCHEMBL756430 0.89 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL6668994 0.89 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL4257601 0.85 TACR2 (0.72) TACR2TACR1TACR3
SCHEMBL6002109 0.85 TACR2 (0.59) TACR2TACR1TACR3
SCHEMBL4256214 0.85 TACR2 (0.59) TACR2TACR1TACR3
SCHEMBL4260605 0.84 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL4408772 0.84 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL5015402 0.84 TACR2 (0.71) TACR2TACR1TACR3
Acetic Acid SCHEMBL7692910 0.83 TACR2 (0.57) TACR2TACR1TACR3
Acetic Acid SCHEMBL7692907 0.83 TACR2 (0.57) TACR2TACR1TACR3

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
EP-1954678-B1 NOVEL NK1 AND NK2 ANTAGONISTS ABBOTT PRODUCTS GMBH (DE) 2012-03-21 EP disclosed