SCHEMBL8327440

SCHEMBL8327440

CN(C)C(=O)N(C)C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL8324205 0.91 TACR1 (0.83) TACR1
SCHEMBL8700774 0.90 TACR1 (0.82) TACR1
SCHEMBL8323801 0.89 TACR1 (1.00) TACR1
SCHEMBL8701447 0.88 TACR1 (0.81) TACR1
SCHEMBL5216139 0.87 TACR1 (0.82) TACR1
SCHEMBL8468887 0.84 TACR1 (1.00) TACR1
SCHEMBL8328566 0.81 TACR1 (1.00) TACR1
SCHEMBL8323634 0.77 TACR1 (1.00) TACR1
SCHEMBL8326759 0.76 TACR1 (0.73) TACR1
SCHEMBL8462009 0.76 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 4 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
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed