SCHEMBL8322682

SCHEMBL8322682

N[C@@H]1CC[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.64

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
SCHEMBL8322683 1.00 TACR1 (0.64) TACR1
SCHEMBL7183526 0.89 TACR1 (0.80) TACR1
SCHEMBL7183530 0.89 TACR1 (0.80) TACR1
SCHEMBL8325079 0.89 TACR1 (0.80) TACR1
SCHEMBL7182090 0.86 TACR1 (0.65) TACR1
SCHEMBL7180363 0.84 TACR1 (0.65) TACR1
SCHEMBL8325707 0.84 TACR1 (0.51) TACR1
SCHEMBL7180360 0.84 TACR1 (0.65) TACR1
SCHEMBL8325709 0.84 TACR1 (0.51) TACR1
SCHEMBL7178198 0.83 TACR1 (0.44) 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