SCHEMBL7181795

SCHEMBL7181795

O=C(NC1CCC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1)OCCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.75

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
SCHEMBL5215336 0.85 TACR1 (1.00) TACR1
SCHEMBL8329128 0.82 TACR1 (0.84) TACR1
SCHEMBL8320858 0.82 TACR1 (0.84) TACR1
SCHEMBL8320862 0.82 TACR1 (0.84) TACR1
SCHEMBL8323634 0.81 TACR1 (1.00) TACR1
SCHEMBL7181839 0.79 TACR1 (0.81) TACR1
SCHEMBL7181760 0.79 TACR1 (0.69) TACR1
SCHEMBL8325654 0.78 TACR1 (1.00) TACR1
SCHEMBL7175519 0.78 TACR1 (0.66) TACR1
SCHEMBL8329927 0.77 TACR1 (1.00) 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