SCHEMBL9544199

CC(C)(C)OC(=O)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@H](CC(=O)OCc1ccccc1)C(=O)C1CN(C2Cc3ccccc3N2C(=O)[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KLK7	P49862	1/20	0.35

▸	CCKBR	P32239	4/20	0.35

▸	CCKAR	P32238	2/20	0.35

▸	ERAP1	Q9NZ08	4/20	0.35

▸	TACR1	P25103	3/20	0.34

▸	IL1RN	P18510	4/20	0.34

▸	ERAP2	Q6P179	4/20	0.34

▸	DPP4	P27487	1/20	0.33

▸	KLK5	Q9Y337	1/20	0.33

▸	CTSL	P07711	1/20	0.33

▸	CASP1	P29466	1/20	0.33

▸	MC4R	P32245	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
SCHEMBL9545084	0.75	MAPT (0.47)	CCKBRDPP4CTSLMC4R
SCHEMBL9543230	0.74	DPP4 (0.40)	CCKBRDPP4
SCHEMBL9544895	0.74	DPP4 (0.40)	CCKBRDPP4
SCHEMBL28784184	0.74	TACR1 (0.54)	KLK7ERAP1TACR1IL1RNERAP2
SCHEMBL9543952	0.71	MAPT (0.45)	ERAP1TACR1DPP4CTSLMC4R
SCHEMBL9542629	0.71	MAPT (0.47)	TACR1DPP4KLK5CTSLMC4R
SCHEMBL27806608	0.71	ERAP1 (0.49)	ERAP1TACR1IL1RNERAP2MC4R
SCHEMBL27871532	0.70	MAPT (0.58)	ERAP1TACR1IL1RNERAP2CASP1
SCHEMBL27885188	0.69	MC4R (0.49)	KLK7ERAP1TACR1IL1RNERAP2
SCHEMBL27871523	0.69	MAPT (0.58)	TACR1CTSLMC4R

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