SCHEMBL7183530

SCHEMBL7183530

NC1CCC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.80

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
SCHEMBL7183526 1.00 TACR1 (0.80) TACR1
SCHEMBL8325079 1.00 TACR1 (0.80) TACR1
SCHEMBL8326141 0.93 TACR1 (0.69) TACR1
SCHEMBL8322683 0.89 TACR1 (0.64) TACR1
SCHEMBL8322682 0.89 TACR1 (0.64) TACR1
SCHEMBL5215271 0.89 TACR1 (1.00) TACR1
SCHEMBL7183608 0.85 TACR1 (0.59) TACR1
SCHEMBL7181839 0.85 TACR1 (0.81) TACR1
SCHEMBL7473292 0.83 TACR1 (0.56) TACR1
SCHEMBL7473285 0.83 TACR1 (0.56) 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