SCHEMBL8326160

SCHEMBL8326160

CN(Cc1nn(C)c(=O)n1C)C1CCC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.52

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
SCHEMBL8702462 0.85 TACR1 (0.71) TACR1
SCHEMBL8702464 0.85 TACR1 (0.71) TACR1
SCHEMBL8702468 0.85 TACR1 (0.71) TACR1
SCHEMBL8522905 0.82 TACR1 (0.53) TACR1
SCHEMBL8522904 0.82 TACR1 (0.53) TACR1
SCHEMBL8326300 0.80 TACR1 (0.61) TACR1
SCHEMBL8326297 0.80 TACR1 (0.61) TACR1
SCHEMBL8322160 0.79 TACR1 (0.71) TACR1
SCHEMBL8322164 0.79 TACR1 (0.71) TACR1
SCHEMBL8326323 0.79 TACR1 (0.70) 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