SCHEMBL11872216

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=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@H]1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	1/20	0.50

▸	CXCR4	P61073	1/20	0.50

▸	ABCC2	Q92887	1/20	0.49

▸	PTGS1	P23219	1/20	0.49

▸	ACE	P12821	1/20	0.49

▸	CTNNB1	P35222	1/20	0.48

▸	APLNR	P35414	2/20	0.48

▸	F13A1	P00488	2/20	0.48

▸	TGM2	P21980	2/20	0.48

▸	CTSL	P07711	1/20	0.48

▸	CTSH	P09668	1/20	0.48

▸	CTSS	P25774	1/20	0.48

▸	CTSK	P43235	1/20	0.48

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
SCHEMBL11867492	0.98	GNRHR (0.51)	GNRHRCXCR4ABCC2PTGS1CTNNB1
Teprotide SCHEMBL613590	0.96	F13A1 (0.52)	GNRHRCXCR4ABCC2PTGS1CTNNB1
Teprotide SCHEMBL11855843	0.96	F13A1 (0.52)	GNRHRCXCR4ABCC2PTGS1CTNNB1
Teprotide SCHEMBL8158703	0.93	CXCR4 (0.51)	GNRHRCXCR4ABCC2PTGS1CTNNB1
SCHEMBL24120770	0.89	CXCR4 (0.55)	CXCR4ACECTNNB1CTSLCTSH
SCHEMBL11872446	0.88	CASP1 (0.51)	CXCR4ACECTNNB1CTSLCTSH
SCHEMBL11872436	0.88	CASP1 (0.51)	CXCR4ACECTNNB1CTSLCTSH
Teprotide SCHEMBL613757	0.88	GNRHR (0.57)	GNRHRABCC2PTGS1APLNRF13A1
SCHEMBL11863142	0.85	IL23R (0.51)	CXCR4ACECTNNB1F13A1TGM2
SCHEMBL11863118	0.85	IL23R (0.51)	CXCR4ACECTNNB1F13A1TGM2

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