SCHEMBL4029704

SCHEMBL4029704

Cc1cc(F)ccc1C1CNCCN1OC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.73

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
SCHEMBL6248371 0.95 TACR1 (0.69) TACR1
SCHEMBL6248151 0.93 TACR1 (0.66) TACR1
SCHEMBL4030869 0.92 TACR1 (0.62) TACR1
SCHEMBL6271323 0.90 TACR1 (0.58) TACR1
SCHEMBL6256854 0.89 TACR1 (0.57) TACR1
SCHEMBL6254831 0.89 TACR1 (0.57) TACR1
SCHEMBL6267407 0.88 TACR1 (0.56) TACR1
SCHEMBL4697612 0.85 TACR1 (0.53) TACR1
SCHEMBL4700386 0.85 TACR1 (0.58) TACR1
SCHEMBL2483566 0.85 TACR1 (1.00) 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-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP claimed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP claimed