SCHEMBL5327979

SCHEMBL5327979

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

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.70

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
SCHEMBL4779313 0.88 TACR1 (0.54) TACR1
SCHEMBL4461016 0.83 TACR1 (1.00) TACR1
SCHEMBL13954730 0.83 TACR1 (1.00) TACR1
SCHEMBL8540356 0.81 TACR1 (0.65) TACR1
SCHEMBL9220669 0.81 TACR1 (0.65) TACR1
SCHEMBL13934970 0.75 TACR1 (1.00) TACR1
SCHEMBL7183608 0.72 TACR1 (0.59) TACR1
SCHEMBL7181839 0.72 TACR1 (0.81) TACR1
SCHEMBL4469839 0.71 TACR1 (0.81) TACR1
SCHEMBL9165199 0.71 TACR1 (0.79) 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
WO-2007136570-A2 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-29 WO disclosed