SCHEMBL8320862

SCHEMBL8320862

NC(=O)CNC1CCC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.84

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
SCHEMBL8329128 1.00 TACR1 (0.84) TACR1
SCHEMBL8320858 1.00 TACR1 (0.84) TACR1
SCHEMBL8325035 0.91 TACR1 (1.00) TACR1
SCHEMBL7181795 0.82 TACR1 (0.75) TACR1
SCHEMBL8700379 0.81 TACR1 (0.84) TACR1
SCHEMBL8700314 0.81 TACR1 (0.84) TACR1
SCHEMBL8700382 0.81 TACR1 (0.84) TACR1
SCHEMBL8700312 0.81 TACR1 (0.84) TACR1
SCHEMBL7181839 0.80 TACR1 (0.81) TACR1
SCHEMBL7181760 0.79 TACR1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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