Mk0686

SCHEMBL1713029

COC(=O)c1c(Cl)cccc1-c1ccc(C(C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Mk0686. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	BDKRB1 known ✓	P46663	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
Mk0686 SCHEMBL6183541	1.00	BDKRB1 (1.00)	BDKRB1
SCHEMBL9947991	0.93	BDKRB1 (1.00)	BDKRB1
SCHEMBL1713230	0.92	BDKRB1 (1.00)	BDKRB1
SCHEMBL13449215	0.92	BDKRB1 (1.00)	BDKRB1
SCHEMBL6184735	0.91	BDKRB1 (0.84)	BDKRB1
SCHEMBL6185454	0.88	BDKRB1 (0.79)	BDKRB1
SCHEMBL13449147	0.86	BDKRB1 (1.00)	BDKRB1
SCHEMBL1712917	0.86	BDKRB1 (1.00)	BDKRB1
SCHEMBL4983157	0.84	BDKRB1 (0.78)	BDKRB1
Hydrochloric Acid SCHEMBL6183823	0.83	BDKRB1 (0.71)	BDKRB1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2344176-A1	USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT	Jerini AG (DE)	2011-07-20	—	—	EP	claimed
WO-2010031577-A1	USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT	JERINI AG (DE)	2010-03-25	—	—	WO	claimed