SCHEMBL4026690

SCHEMBL4026690

Cc1cc(F)ccc1C1CNCCN1OC(=O)N(C)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.68

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
SCHEMBL4701722 0.92 TACR1 (0.75) TACR1
SCHEMBL4698120 0.92 TACR1 (0.75) TACR1
Hydrochloric Acid SCHEMBL6598901 0.91 TACR1 (0.74) TACR1
SCHEMBL4022122 0.88 TACR1 (0.62) TACR1
SCHEMBL2487012 0.87 TACR1 (0.85) TACR1
SCHEMBL6248250 0.87 TACR1 (0.70) TACR1
SCHEMBL6250337 0.87 TACR1 (0.70) TACR1
SCHEMBL6249954 0.85 TACR1 (0.68) TACR1
SCHEMBL6246152 0.85 TACR1 (0.68) TACR1
SCHEMBL4028313 0.85 TACR1 (0.59) 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