SCHEMBL7180660

SCHEMBL7180660

CN[C@@H]1CC[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL8325670 1.00 TACR1 (0.66) TACR1
SCHEMBL7180666 1.00 TACR1 (0.66) TACR1
SCHEMBL7187305 0.89 TACR1 (0.67) TACR1
SCHEMBL7187310 0.89 TACR1 (0.67) TACR1
SCHEMBL8326869 0.86 TACR1 (0.70) TACR1
SCHEMBL8326868 0.86 TACR1 (0.70) TACR1
SCHEMBL7189765 0.85 TACR1 (0.67) TACR1
SCHEMBL8704028 0.83 TACR1 (0.71) TACR1
SCHEMBL8322683 0.83 TACR1 (0.64) TACR1
SCHEMBL8322682 0.83 TACR1 (0.64) 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 5 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
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed