SCHEMBL4772392

CN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.COC(=O)C1CN(Cc2ccccc2)CC(C(=O)OC)C1c1ccccc1.O=C(c1ccccc1)C1CN(Cc2ccccc2)CC(C(=O)c2ccccc2)C1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RORC	P51449	1/20	0.51

▸	SLC6A2	P23975	2/20	0.47

▸	SLC6A4	P31645	2/20	0.47

▸	SLC6A3	Q01959	2/20	0.47

▸	KMT2A	Q03164	2/20	0.46

▸	MEN1	O00255	1/20	0.46

▸	ALDH1A1	P00352	1/20	0.44

▸	GAA	P10253	1/20	0.44

▸	F10	P00742	3/20	0.42

▸	PRSS1	P07477	2/20	0.42

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
SCHEMBL4792902	0.92	RORC (0.58)	RORCKMT2AMEN1ALDH1A1GAA
SCHEMBL4021698	0.89	SLC6A2 (0.48)	RORCSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4022773	0.86	RORC (0.64)	RORCKMT2AMEN1ALDH1A1
SCHEMBL4772415	0.86	RORC (0.64)	RORCKMT2AMEN1ALDH1A1
SCHEMBL4022028	0.81	KMT2A (0.61)	SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL585357	0.79	S1PR5 (0.53)	RORC
SCHEMBL585358	0.79	S1PR5 (0.53)	RORC
SCHEMBL6232433	0.79	S1PR5 (0.53)	RORC
SCHEMBL6232439	0.79	S1PR5 (0.53)	RORC
SCHEMBL4661703	0.78	RORC (0.57)	RORCSLC6A2SLC6A4SLC6A3F10

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-1962846-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	Cytokinetics, Inc. (US)	2008-09-03	—	—	EP	disclosed
WO-2007059323-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INC. (US)	2007-05-24	—	—	WO	disclosed