SCHEMBL4697612

SCHEMBL4697612

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)ON1CCNCC1c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.53

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
SCHEMBL4030869 0.86 TACR1 (0.62) TACR1
SCHEMBL4029704 0.85 TACR1 (0.73) TACR1
SCHEMBL4026292 0.85 TACR1 (0.50) TACR1
SCHEMBL2512667 0.85 TACR1 (0.73) TACR1
Hydrochloric Acid SCHEMBL4205666 0.84 TACR1 (0.72) TACR1
SCHEMBL4031505 0.83 TACR1 (0.57) TACR1
SCHEMBL4024727 0.82 TACR1 (0.53) TACR1
SCHEMBL4031461 0.82 TACR1 (0.54) TACR1
SCHEMBL6248371 0.80 TACR1 (0.69) TACR1
SCHEMBL6248151 0.79 TACR1 (0.66) 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-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP claimed