SCHEMBL10784237

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.59

▸	CCKBR	P32239	3/20	0.53

▸	CXCR4	P61073	3/20	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

▸	PTGS1	P23219	1/20	0.51

▸	MC4R	P32245	3/20	0.51

▸	MC5R	P33032	2/20	0.51

▸	MC3R	P41968	2/20	0.51

▸	MC1R	Q01726	2/20	0.51

▸	GNRHR	P30968	1/20	0.51

▸	APLNR	P35414	1/20	0.51

▸	NMUR2	Q9GZQ4	2/20	0.50

▸	NMUR1	Q9HB89	2/20	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
SCHEMBL9726210	0.96	C5AR1 (0.59)	C5AR1CCKBRCXCR4CTSLCTSS
SCHEMBL10779510	0.95	C5AR1 (0.58)	C5AR1CCKBRCXCR4CTSLCTSS
SCHEMBL11326066	0.93	C5AR1 (0.59)	C5AR1CCKBRCXCR4CTSLCTSS
SCHEMBL7621384	0.91	C5AR1 (0.58)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11392131	0.91	C5AR1 (0.58)	C5AR1CCKBRCXCR4CTSLCTSS
SCHEMBL10784175	0.90	C5AR1 (0.56)	C5AR1CCKBRCXCR4CTSLCTSS
SCHEMBL10784514	0.90	NMUR2 (0.56)	C5AR1MC4RAPLNRNMUR2NMUR1
SCHEMBL29391299	0.90	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL10778825	0.89	C5AR1 (0.58)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL11101417	0.89	C5AR1 (0.59)	C5AR1CCKBRCXCR4CTSLCTSS

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-0111841-B1	LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION	SYNTEX (U.S.A.) INC. (US)	1987-05-06	—	—	EP	disclosed