SCHEMBL758200

SCHEMBL758200

CN(C[C@@H](CCN1CCN(C(=O)C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.70
TACR1 P25103 5/20 0.70
TACR3 P29371 4/20 0.70

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
SCHEMBL5015402 0.89 TACR2 (0.71) TACR2TACR1TACR3
SCHEMBL4257601 0.87 TACR2 (0.72) TACR2TACR1TACR3
SCHEMBL5013769 0.85 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL6002275 0.85 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL756946 0.85 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL4259967 0.84 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5802711 0.84 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL755080 0.84 TACR2 (0.67) TACR2TACR1TACR3
Acetic Acid SCHEMBL4258039 0.84 TACR2 (0.65) TACR2TACR1TACR3
SCHEMBL7669809 0.84 TACR2 (0.83) 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