SCHEMBL11865471

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]1(C(=O)O)C1=CC=COC1O

nearest known ligand 0.46

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	1/20	0.46

▸	CTNNB1	P35222	3/20	0.44

▸	F13A1	P00488	2/20	0.44

▸	TGM2	P21980	2/20	0.44

▸	ACE	P12821	1/20	0.44

▸	IL23R	Q5VWK5	1/20	0.44

▸	CTSL	P07711	2/20	0.43

▸	CTSS	P25774	2/20	0.43

▸	CTSK	P43235	2/20	0.43

▸	CTSH	P09668	1/20	0.43

▸	ABCC2	Q92887	1/20	0.43

▸	APLNR	P35414	2/20	0.43

▸	GNRHR	P30968	1/20	0.43

▸	PTGS1	P23219	1/20	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
Teprotide SCHEMBL613590	0.86	F13A1 (0.52)	CXCR4CTNNB1F13A1TGM2IL23R
Teprotide SCHEMBL11855843	0.86	F13A1 (0.52)	CXCR4CTNNB1F13A1TGM2IL23R
SCHEMBL11872216	0.85	GNRHR (0.50)	CXCR4CTNNB1F13A1TGM2ACE
SCHEMBL11867492	0.85	GNRHR (0.51)	CXCR4CTNNB1F13A1TGM2IL23R
Teprotide SCHEMBL8158703	0.84	CXCR4 (0.51)	CXCR4CTNNB1F13A1TGM2IL23R
SCHEMBL11869131	0.79	IL23R (0.49)	CXCR4CTNNB1ACEIL23RCTSL
Teprotide SCHEMBL613757	0.79	GNRHR (0.57)	F13A1TGM2ABCC2APLNRGNRHR
SCHEMBL24120770	0.77	CXCR4 (0.55)	CXCR4CTNNB1ACECTSLCTSS
SCHEMBL11863142	0.76	IL23R (0.51)	CXCR4CTNNB1F13A1TGM2ACE
SCHEMBL11863118	0.76	IL23R (0.51)	CXCR4CTNNB1F13A1TGM2ACE

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
US-3973006-A	Peptide enzyme inhibitors of angiotensin I	E. R. SQUIBB & SONS, INC. (US)	1976-08-03	—	—	US	disclosed