SCHEMBL9630737

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	7/20	0.57

▸	GNRHR	P30968	1/20	0.56

▸	ABCC2	Q92887	1/20	0.56

▸	PTGS1	P23219	1/20	0.56

▸	CXCL8	P10145	2/20	0.54

▸	EPHA2	P29317	1/20	0.53

▸	CXCR4	P61073	3/20	0.53

▸	MC4R	P32245	2/20	0.52

▸	MC5R	P33032	2/20	0.52

▸	MC3R	P41968	2/20	0.52

▸	MC1R	Q01726	2/20	0.52

▸	C5AR1	P21730	1/20	0.52

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
SCHEMBL9631369	0.96	GNRHR (0.56)	KISS1RGNRHRABCC2PTGS1CXCL8
SCHEMBL9630848	0.91	KISS1R (0.62)	KISS1RGNRHRABCC2PTGS1CXCL8
SCHEMBL9852696	0.88	KISS1R (0.59)	KISS1R
SCHEMBL30387715	0.86	KISS1R (0.62)	KISS1RGNRHRABCC2PTGS1CXCR4
SCHEMBL11660497	0.85	GNRHR (0.69)	KISS1RGNRHRABCC2PTGS1
SCHEMBL11662009	0.85	GNRHR (0.69)	KISS1RGNRHRABCC2PTGS1
SCHEMBL11662308	0.85	GNRHR (0.69)	KISS1RGNRHRABCC2PTGS1
SCHEMBL29619534	0.85	GNRHR (0.65)	KISS1RGNRHRABCC2PTGS1CXCR4
SCHEMBL11793620	0.85	ABCC2 (0.64)	KISS1RGNRHRABCC2CXCL8EPHA2
SCHEMBL11099432	0.85	KISS1R (0.63)	KISS1RGNRHRCXCL8MC4RMC5R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0480918-A1	REDUCED SIZE LHRH ANALOGS	ABBOTT LABORATORIES (US)	1992-04-22	—	—	EP	claimed
EP-0480918-A4	REDUCED SIZE LHRH ANALOGS.	ABBOTT LAB (US)	1991-06-04	—	—	EP	claimed
WO-1989007451-A1	REDUCED SIZE LHRH ANALOGS	ABBOTT LABORATORIES (US)	1989-08-24	—	—	WO	claimed