SCHEMBL2485689

SCHEMBL2485689

Cc1cc(F)ccc1C1CNCC(C)N1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.71

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
SCHEMBL4027962 0.85 TACR1 (0.63) TACR1
SCHEMBL2483566 0.83 TACR1 (1.00) TACR1
SCHEMBL13451348 0.79 TACR1 (0.78) TACR1
SCHEMBL4029704 0.78 TACR1 (0.73) TACR1
SCHEMBL13451453 0.77 TACR1 (0.73) TACR1
SCHEMBL3163349 0.77 TACR1 (0.83) TACR1
SCHEMBL13627557 0.77 TACR1 (1.00) TACR1
SCHEMBL13451657 0.77 TACR1 (0.83) TACR1
SCHEMBL5495988 0.77 TACR1 (0.83) TACR1
SCHEMBL5499015 0.77 TACR1 (0.83) TACR1

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-2117535-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed