SCHEMBL6100555

SCHEMBL6100555

COC[C@@H]1COC[C@H](COC)N1CCON=C(C)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.79

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
SCHEMBL6099130 1.00 TACR1 (0.79) TACR1
SCHEMBL6100129 0.92 TACR1 (0.81) TACR1
SCHEMBL6101280 0.92 TACR1 (0.82) TACR1
SCHEMBL6098193 0.89 TACR1 (1.00) TACR1
SCHEMBL6098196 0.89 TACR1 (1.00) TACR1
SCHEMBL6098093 0.88 TACR1 (1.00) TACR1
SCHEMBL6098092 0.88 TACR1 (1.00) TACR1
SCHEMBL6099023 0.87 TACR1 (0.85) TACR1
SCHEMBL6097474 0.86 TACR1 (1.00) TACR1
SCHEMBL6097478 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094779-B2 Piperazine oxime dervatives having NK-1 receptor antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-22 US disclosed
EP-1406894-B1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-22 EP disclosed