SCHEMBL4779313

SCHEMBL4779313

O=C(O)N1CC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1CO

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.54

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
SCHEMBL5327979 0.88 TACR1 (0.70) TACR1
SCHEMBL4469839 0.80 TACR1 (0.81) TACR1
SCHEMBL7181839 0.76 TACR1 (0.81) TACR1
SCHEMBL7181760 0.75 TACR1 (0.69) TACR1
SCHEMBL7175519 0.73 TACR1 (0.66) TACR1
SCHEMBL4990288 0.73 TACR1 (0.44) TACR1
SCHEMBL7183526 0.72 TACR1 (0.80) TACR1
SCHEMBL7183608 0.72 TACR1 (0.59) TACR1
SCHEMBL7183530 0.72 TACR1 (0.80) TACR1
SCHEMBL8325079 0.72 TACR1 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978965-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-10-15 EP disclosed
WO-2007136570-A2 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007087224-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-08-02 WO disclosed