SCHEMBL30665146

CC(C)C[C@H](NC(=O)[C@@H](C)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]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	1/20	0.65

▸	ABCC2	Q92887	1/20	0.65

▸	PTGS1	P23219	1/20	0.64

▸	C5AR1	P21730	1/20	0.57

▸	CTSL	P07711	2/20	0.55

▸	CTSS	P25774	2/20	0.55

▸	CTSK	P43235	2/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	CXCR4	P61073	3/20	0.55

▸	APLNR	P35414	1/20	0.53

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
SCHEMBL31733948	0.98	GNRHR (0.67)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29857994	0.98	GNRHR (0.67)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL11315269	0.95	GNRHR (0.71)	GNRHRABCC2PTGS1C5AR1CTSL
SCHEMBL29425251	0.95	GNRHR (0.64)	GNRHRABCC2PTGS1C5AR1CXCR4
SCHEMBL29858408	0.95	PTGS1 (0.65)	GNRHRABCC2PTGS1C5AR1CTSL
SCHEMBL30839204	0.95	GNRHR (0.64)	GNRHRABCC2PTGS1C5AR1CXCR4
SCHEMBL29373920	0.95	PTGS1 (0.72)	GNRHRABCC2PTGS1C5AR1CTSL
SCHEMBL29857989	0.95	GNRHR (0.63)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29390323	0.94	ABCC2 (0.63)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL25353366	0.94	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR

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
CN-111789936-B	Alarelin composition and preparation method thereof	深圳市星银医药有限公司	2023-09-15	—	—	CN	disclosed