SCHEMBL11201932

CC(=O)N(C(=O)[C@@H](N)Cc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.57

▸	KISS1R	Q969F8	3/20	0.55

▸	CXCR4	P61073	4/20	0.52

▸	CTSL	P07711	2/20	0.52

▸	CTSS	P25774	2/20	0.52

▸	CTSK	P43235	2/20	0.52

▸	CTSH	P09668	1/20	0.52

▸	GNRHR	P30968	2/20	0.52

▸	DRD1	P21728	1/20	0.52

▸	OPRM1	P35372	1/20	0.52

▸	MRGPRX2	Q96LB1	1/20	0.52

▸	GLP1R	P43220	1/20	0.51

▸	ABCB11	O95342	1/20	0.51

▸	ABCC2	Q92887	1/20	0.51

▸	PTGS1	P23219	1/20	0.50

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
SCHEMBL11199733	0.95	KISS1R (0.58)	KISS1RCXCR4GNRHRDRD1OPRM1
SCHEMBL11406923	0.95	KISS1R (0.59)	KISS1RCXCR4GNRHRDRD1OPRM1
SCHEMBL11202228	0.93	CXCR4 (0.57)	C5AR1KISS1RCXCR4GNRHRDRD1
SCHEMBL11207519	0.92	GNRHR (0.61)	KISS1RCXCR4GNRHRDRD1OPRM1
SCHEMBL11098383	0.90	PTGS1 (0.58)	KISS1RCXCR4GNRHRABCC2PTGS1
SCHEMBL11200262	0.90	GNRHR (0.59)	C5AR1KISS1RCXCR4GNRHRDRD1
SCHEMBL11099432	0.88	KISS1R (0.63)	KISS1RGNRHRDRD1OPRM1MRGPRX2
SCHEMBL29942618	0.86	C5AR1 (0.64)	C5AR1KISS1RCXCR4CTSLCTSS
SCHEMBL30271248	0.86	C5AR1 (0.64)	C5AR1KISS1RCXCR4CTSLCTSS
SCHEMBL31351847	0.85	C5AR1 (0.60)	C5AR1CXCR4CTSLCTSSCTSK

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-0081877-A1	LH-RH antagonists	COY, David Howard (US)	1983-06-22	—	—	EP	claimed