SCHEMBL99947

COc1cc(NC(=O)CCCc2ccc(-c3ccccc3)c(NC(=O)O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)N4C)c2)c(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CHRM3	P20309	10/20	0.45

▸	CHRM1	P11229	4/20	0.45

▸	CHRM2	P08172	3/20	0.45

▸	ADRB2	P07550	8/20	0.40

▸	CHEK1	O14757	1/20	0.36

▸	CHRM4	P08173	2/20	0.34

▸	TSHR	P16473	2/20	0.34

▸	LMNA	P02545	1/20	0.34

▸	CHRM5	P08912	1/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	NFKB1	P19838	1/20	0.34

▸	HIF1A	Q16665	1/20	0.34

▸	KMT2A	Q03164	1/20	0.33

▸	TDP1	Q9NUW8	1/20	0.33

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
SCHEMBL661508	0.98	CHRM3 (0.45)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL99016	0.98	CHRM3 (0.45)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL663916	0.96	CHRM3 (0.46)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL98812	0.96	CHRM3 (0.46)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL98861	0.95	CHRM3 (0.50)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL98940	0.91	CHRM3 (0.43)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL98939	0.91	CHRM3 (0.43)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL98938	0.91	CHRM3 (0.43)	CHRM3CHRM1CHRM2ADRB2CHEK1
SCHEMBL661597	0.91	CHRM3 (0.46)	CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL100649	0.91	CHRM3 (0.46)	CHRM3CHRM1CHRM2ADRB2CHRM4

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-2426121-A1	QUATERNARY AMMONIUM SALT COMPOUND	Teijin Pharma Limited (JP)	2012-03-07	—	—	EP	claimed