SCHEMBL6877389

SCHEMBL6877389

CC(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=NOCCCN1CCOCC1

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
SCHEMBL6877383 1.00 TACR1 (1.00) TACR1
SCHEMBL6098193 0.96 TACR1 (1.00) TACR1
SCHEMBL6098196 0.96 TACR1 (1.00) TACR1
SCHEMBL6875185 0.94 TACR1 (1.00) TACR1
SCHEMBL6099776 0.94 TACR1 (1.00) TACR1
SCHEMBL6099790 0.92 TACR1 (0.93) TACR1
SCHEMBL6099789 0.92 TACR1 (0.93) TACR1
SCHEMBL6098815 0.92 TACR1 (1.00) TACR1
SCHEMBL6098820 0.92 TACR1 (1.00) TACR1
SCHEMBL6099238 0.92 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406894-B1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-22 EP disclosed
EP-1406894-A1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-04-14 EP disclosed
WO-2003006459-A1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-01-23 WO disclosed