SCHEMBL3080781

O=C(c1cccs1)N1CC[C@H](N2CCN([C@H]3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@H](Cc4ccc(Cl)c(Cl)c4)C3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	13/20	0.46

▸	CCR3	P51677	3/20	0.41

▸	KDM4E	B2RXH2	1/20	0.39

▸	ALDH1A1	P00352	1/20	0.39

▸	MAPT	P10636	1/20	0.39

▸	THRB	P10828	1/20	0.39

▸	L3MBTL1	Q9Y468	1/20	0.39

▸	TACR2	P21452	3/20	0.38

▸	TACR3	P29371	1/20	0.38

▸	RHOC	P08134	1/20	0.37

▸	RHOA	P61586	1/20	0.37

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
SCHEMBL12809138	1.00	TACR1 (0.46)	TACR1CCR3KDM4EALDH1A1MAPT
SCHEMBL3222410	0.87	TACR1 (0.45)	TACR1CCR3TACR2RHOCRHOA
SCHEMBL3222415	0.87	TACR1 (0.45)	TACR1CCR3TACR2RHOCRHOA
SCHEMBL3086886	0.87	TACR1 (0.50)	TACR1CCR3TACR2TACR3
SCHEMBL3086889	0.87	TACR1 (0.50)	TACR1CCR3TACR2TACR3
SCHEMBL3208966	0.86	TACR1 (0.49)	TACR1CCR3KDM4EALDH1A1TACR2
SCHEMBL3212277	0.86	TACR1 (0.49)	TACR1CCR3KDM4EALDH1A1TACR2
SCHEMBL3208973	0.86	TACR1 (0.49)	TACR1CCR3KDM4EALDH1A1TACR2
SCHEMBL3088212	0.86	TACR1 (0.49)	TACR1CCR3TACR2TACR3RHOC
SCHEMBL12809224	0.86	TACR1 (0.49)	TACR1CCR3TACR2TACR3RHOC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7795261-B2	Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists	JANSSEN PHARMACEUTICA NV (BE)	2010-09-14	—	—	US	claimed