SCHEMBL6873191

SCHEMBL6873191

CC(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccc(F)cc23)C1)=NOCCN(C)C

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.85

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
SCHEMBL6873189 1.00 TACR1 (0.85) TACR1
SCHEMBL6098937 0.93 TACR1 (0.85) TACR1
SCHEMBL6098939 0.93 TACR1 (0.85) TACR1
SCHEMBL6100524 0.92 TACR1 (1.00) TACR1
SCHEMBL6100519 0.92 TACR1 (1.00) TACR1
SCHEMBL6100460 0.89 TACR1 (0.85) TACR1
SCHEMBL6100465 0.89 TACR1 (0.85) TACR1
SCHEMBL6099617 0.88 TACR1 (0.92) TACR1
SCHEMBL6099620 0.88 TACR1 (0.92) TACR1
SCHEMBL6098400 0.85 TACR1 (0.87) 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