SCHEMBL6248151

SCHEMBL6248151

Cc1cc(F)ccc1[C@H]1CCNCCN1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL4029704 0.93 TACR1 (0.73) TACR1
SCHEMBL4700386 0.88 TACR1 (0.58) TACR1
SCHEMBL6248371 0.88 TACR1 (0.69) TACR1
SCHEMBL6247332 0.88 TACR1 (0.50) TACR1
SCHEMBL6249957 0.88 TACR1 (0.51) TACR1
SCHEMBL4030869 0.85 TACR1 (0.62) TACR1
SCHEMBL6246152 0.84 TACR1 (0.68) TACR1
SCHEMBL6249954 0.84 TACR1 (0.68) TACR1
SCHEMBL4027893 0.83 TACR1 (0.57) TACR1
SCHEMBL6271323 0.83 TACR1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377558-B1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-08-17 EP claimed