SCHEMBL9353686

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(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.55

▸	NMUR2	Q9GZQ4	5/20	0.54

▸	NMUR1	Q9HB89	5/20	0.54

▸	PTGS1	P23219	1/20	0.54

▸	GNRHR	P30968	1/20	0.51

▸	CXCR4	P61073	5/20	0.50

▸	C5AR1	P21730	1/20	0.50

▸	CCKBR	P32239	1/20	0.49

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
SCHEMBL10779510	0.91	C5AR1 (0.58)	KISS1RNMUR2NMUR1PTGS1GNRHR
SCHEMBL10774369	0.88	NMUR2 (0.58)	NMUR2NMUR1GNRHR
SCHEMBL11098383	0.87	PTGS1 (0.58)	KISS1RPTGS1GNRHRCXCR4
SCHEMBL11392131	0.87	C5AR1 (0.58)	KISS1RNMUR2NMUR1CXCR4C5AR1
SCHEMBL10784237	0.86	C5AR1 (0.59)	NMUR2NMUR1PTGS1GNRHRCXCR4
SCHEMBL10784175	0.86	C5AR1 (0.56)	KISS1RNMUR2NMUR1CXCR4C5AR1
SCHEMBL10784514	0.86	NMUR2 (0.56)	NMUR2NMUR1C5AR1
SCHEMBL5167427	0.85	KISS1R (0.67)	KISS1RPTGS1GNRHRCXCR4
SCHEMBL5167437	0.85	KISS1R (0.67)	KISS1RPTGS1GNRHRCXCR4
SCHEMBL11207519	0.85	GNRHR (0.61)	KISS1RNMUR2NMUR1GNRHRCXCR4

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-0052510-B2	Microencapsulation of water soluble polypeptides	SYNTEX INC (US)	1994-10-19	—	—	EP	claimed