SCHEMBL30997477

N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.52

▸	APLNR	P35414	3/20	0.50

▸	CTSL	P07711	3/20	0.49

▸	CTSS	P25774	3/20	0.49

▸	CTSK	P43235	3/20	0.49

▸	CTSH	P09668	1/20	0.49

▸	C5AR1	P21730	1/20	0.49

▸	GHSR	Q92847	3/20	0.47

▸	CXCR4	P61073	1/20	0.47

▸	RAMP3	O60896	3/20	0.46

▸	CALCR	P30988	3/20	0.46

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
SCHEMBL30570970	0.90	APLNR (0.55)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL14677292	0.88	C5AR1 (0.49)	F2APLNRCTSLCTSSCTSK
SCHEMBL14677288	0.88	C5AR1 (0.49)	F2APLNRCTSLCTSSCTSK
SCHEMBL31186830	0.88	F2 (0.57)	F2APLNRCTSLCTSSCTSK
SCHEMBL30570976	0.88	APLNR (0.55)	F2APLNRCTSLCTSSCTSK
SCHEMBL29591975	0.87	APLNR (0.51)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL30537453	0.87	CXCR4 (0.57)	F2APLNRC5AR1GHSRCXCR4
SCHEMBL29519729	0.87	C5AR1 (0.54)	F2APLNRCTSLCTSSCTSK
SCHEMBL29607540	0.86	C5AR1 (0.56)	F2APLNRCTSLCTSSCTSK
SCHEMBL29630628	0.86	APLNR (0.49)	APLNRCTSLCTSSCTSKCTSH

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
US-20240230663-A1	METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE	AVAIL BIO INC (US)	2024-07-11	—	—	US	disclosed