SCHEMBL9854697

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.58

▸	CTSB	P07858	2/20	0.56

▸	CAPN1	P07384	1/20	0.56

▸	MMP1	P03956	2/20	0.51

▸	FCER2	P06734	2/20	0.51

▸	REN	P00797	2/20	0.50

▸	CTSV	O60911	1/20	0.49

▸	CTSL	P07711	1/20	0.49

▸	CTSS	P25774	1/20	0.49

▸	PTPN1	P18031	3/20	0.48

▸	KCNA5	P22460	1/20	0.48

▸	CASP1	P29466	1/20	0.48

▸	PSMB5	P28074	3/20	0.48

▸	KISS1R	Q969F8	1/20	0.47

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
SCHEMBL16571252	0.87	BACE1 (0.62)	BACE1CTSBCAPN1CTSVCTSL
SCHEMBL9854712	0.83	REN (0.52)	MMP1FCER2RENCTSLPTPN1
SCHEMBL12518059	0.78	BACE1 (0.61)	BACE1CTSBCAPN1CTSVCTSL
SCHEMBL9854705	0.78	MMP1 (0.50)	MMP1FCER2RENPTPN1PSMB5
Hydrochloric Acid SCHEMBL9787692	0.78	FCER2 (0.60)	BACE1MMP1FCER2RENPTPN1
SCHEMBL12463981	0.78	MMP9 (0.60)	BACE1CTSBCAPN1CTSVCTSL
SCHEMBL9854731	0.77	FCER2 (0.52)	MMP1FCER2RENPTPN1PSMB5
SCHEMBL16705333	0.76	BACE1 (0.56)	BACE1CTSBCAPN1CTSVCTSL
SCHEMBL30291662	0.76	CTSB (0.56)	BACE1CTSBCAPN1CTSVCTSL
SCHEMBL13402940	0.76	MMP1 (0.54)	MMP1FCER2PTPN1

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-0405506-A1	Tetrapeptide type-B CCK receptor ligands	ABBOTT LABORATORIES (US)	1991-01-02	—	—	EP	disclosed