SCHEMBL9545339

CC(C)(C)COC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2C(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PREP	P48147	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	RIPK1	Q13546	1/20	0.36

▸	UCHL1	P09936	1/20	0.35

▸	CHRM2	P08172	1/20	0.34

▸	CHRM4	P08173	1/20	0.34

▸	CHRM1	P11229	1/20	0.34

▸	CHRM3	P20309	1/20	0.34

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
SCHEMBL9545343	1.00	PREP (0.36)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1
SCHEMBL9544857	0.94	DRD2 (0.35)	PREPALDH1A1RIPK1UCHL1
SCHEMBL9544849	0.94	DRD2 (0.35)	PREPALDH1A1RIPK1UCHL1
SCHEMBL9542933	0.93	ACE (0.38)	—
SCHEMBL9545274	0.91	UCHL1 (0.41)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1
SCHEMBL9543563	0.91	UCHL1 (0.41)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1
SCHEMBL9543556	0.91	UCHL1 (0.41)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1
SCHEMBL9543967	0.91	UCHL1 (0.41)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1
SCHEMBL9543974	0.91	UCHL1 (0.41)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1
SCHEMBL9545268	0.91	UCHL1 (0.41)	PREPALDH1A1SMN1; SMN2RIPK1UCHL1

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
WO-1993020099-A2	CCK AND/OR GASTRIN RECEPTOR LIGANDS	FERRING B.V. (NL)	1993-10-14	—	—	WO	claimed
WO-1993020099-A2	CCK AND/OR GASTRIN RECEPTOR LIGANDS	FERRING B.V. (NL)	1993-10-14	—	—	WO	disclosed