SCHEMBL7181791

SCHEMBL7181791

CCOC(=O)N(c1ccccc1)[C@@H]1CC[C@@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.60

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
SCHEMBL8323911 0.81 TACR1 (0.63) TACR1
SCHEMBL7181839 0.77 TACR1 (0.81) TACR1
SCHEMBL7181760 0.76 TACR1 (0.69) TACR1
SCHEMBL7175519 0.75 TACR1 (0.66) TACR1
SCHEMBL7183608 0.75 TACR1 (0.59) TACR1
SCHEMBL8323801 0.75 TACR1 (1.00) TACR1
SCHEMBL8700774 0.74 TACR1 (0.82) TACR1
SCHEMBL5216139 0.73 TACR1 (0.82) TACR1
SCHEMBL8326300 0.73 TACR1 (0.61) TACR1
SCHEMBL8326297 0.73 TACR1 (0.61) 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-1322596-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO disclosed