SCHEMBL6099238

CC(CCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=NOCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	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.

Compound	similarity	top predicted	shared targets
SCHEMBL6099235	1.00	TACR1 (1.00)	TACR1
SCHEMBL6097585	0.96	TACR1 (1.00)	TACR1
SCHEMBL6097582	0.96	TACR1 (1.00)	TACR1
SCHEMBL6099776	0.95	TACR1 (1.00)	TACR1
SCHEMBL6875185	0.95	TACR1 (1.00)	TACR1
SCHEMBL6098196	0.93	TACR1 (1.00)	TACR1
SCHEMBL6098193	0.93	TACR1 (1.00)	TACR1
SCHEMBL6877383	0.92	TACR1 (1.00)	TACR1
SCHEMBL6877389	0.92	TACR1 (1.00)	TACR1
SCHEMBL6099789	0.89	TACR1 (0.93)	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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
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