Biotin

SCHEMBL6521802

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)COCCOCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)C(C)C)C(C)C)C(C)C.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.59

▸	GCGR	P47871	9/20	0.59

▸	APLNR	P35414	1/20	0.58

▸	GIPR	P48546	6/20	0.58

▸	RAMP3	O60896	4/20	0.56

▸	CALCR	P30988	4/20	0.56

▸	SCTR	P47872	1/20	0.54

▸	CCKBR	P32239	2/20	0.54

▸	TFPI	P10646	1/20	0.53

▸	RAMP1	O60894	1/20	0.52

▸	RAMP2	O60895	1/20	0.52

▸	CALCRL	Q16602	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
SCHEMBL6521767	0.83	GLP1R (0.57)	GLP1RGCGRAPLNRGIPRRAMP3
SCHEMBL31182477	0.81	APLNR (0.64)	APLNRTFPI
SCHEMBL30440022	0.80	C5AR1 (0.59)	GLP1RGCGRAPLNRRAMP3CALCR
SCHEMBL30262200	0.80	GLP1R (0.60)	GLP1RGCGRAPLNRGIPRCALCR
SCHEMBL30439872	0.79	C5AR1 (0.60)	GLP1RGCGRCALCR
SCHEMBL26004079	0.79	APLNR (0.57)	APLNRCCKBR
SCHEMBL30439761	0.79	PIN1 (0.51)	APLNR
SCHEMBL30431858	0.79	APLNR (0.61)	GLP1RGCGRAPLNRRAMP3CALCR
SCHEMBL30262218	0.79	C5AR1 (0.59)	GLP1RGCGRGIPRRAMP3CALCR
SCHEMBL30859188	0.79	CALCR (0.63)	GLP1RGCGRAPLNRGIPRCALCR

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-20050118598-A1	Organic compounds	GARCIA-ECHEVERRIA CARLOS (CH)	2005-06-02	—	—	US	disclosed