SCHEMBL6003130

Cc1cc(C(=S)N2CCN(CCN3C[C@@H](C)O[C@@H](C)C3)C[C@H]2Cc2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)cc(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	5/20	0.32

▸	HSD11B1	P28845	2/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	PHGDH	O43175	6/20	0.31

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
SCHEMBL6003132	1.00	TACR1 (0.32)	TACR1HSD11B1ALDH1A1SMN1; SMN2PHGDH
SCHEMBL5368577	0.85	TACR1 (0.39)	TACR1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL7864835	0.85	TACR1 (0.39)	TACR1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL5368575	0.85	TACR1 (0.39)	TACR1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL5425453	0.85	POLB (0.32)	TACR1
SCHEMBL5425455	0.85	POLB (0.32)	TACR1
SCHEMBL6003128	0.78	TACR1 (0.34)	TACR1
Hydrochloric Acid SCHEMBL5363711	0.75	RHOC (0.42)	TACR1
Hydrochloric Acid SCHEMBL7863825	0.75	RHOC (0.42)	TACR1
Hydrochloric Acid SCHEMBL5363706	0.75	RHOC (0.42)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1140924-B1	PIPERAZINE DERIVATIVES	ASTELLAS PHARMA INC (JP)	2006-03-22	—	—	EP	disclosed