SCHEMBL7202188

SCHEMBL7202188

O=C(O)C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.83

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
SCHEMBL13677515 1.00 TACR1 (0.83) TACR1
SCHEMBL8326932 0.83 TACR1 (0.64) TACR1
SCHEMBL8701134 0.83 TACR1 (0.64) TACR1
SCHEMBL5220439 0.82 TACR1 (0.81) TACR1
SCHEMBL5220433 0.82 TACR1 (0.81) TACR1
SCHEMBL7181839 0.81 TACR1 (0.81) TACR1
SCHEMBL7181141 0.79 TACR1 (0.53) TACR1
SCHEMBL7181133 0.79 TACR1 (0.53) TACR1
SCHEMBL7181548 0.79 TACR1 (0.53) TACR1
SCHEMBL13677494 0.78 TACR1 (0.73) 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