SCHEMBL29929124

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	IL23R	Q5VWK5	3/20	0.57

▸	OPRM1	P35372	1/20	0.56

▸	OPRD1	P41143	1/20	0.56

▸	OPRK1	P41145	1/20	0.56

▸	OPRL1	P41146	2/20	0.55

▸	GLP1R	P43220	2/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	CCKBR	P32239	1/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	CALCR	P30988	2/20	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
SCHEMBL30800826	1.00	TFPI (0.59)	TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL29541665	1.00	TFPI (0.59)	TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL30767165	0.97	TFPI (0.57)	TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL28216597	0.93	TFPI (0.58)	TFPIIL23ROPRL1GLP1RGCGR
SCHEMBL30618037	0.88	TFPI (0.61)	TFPIGLP1RCCKBRCALCR
SCHEMBL15186094	0.87	GLP1R (0.67)	TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL31678895	0.87	TFPI (0.60)	TFPIOPRL1GLP1RGCGRGIPR
SCHEMBL15185980	0.87	GLP1R (0.69)	TFPIIL23RGLP1RGCGRGIPR
SCHEMBL29701273	0.86	TFPI (0.74)	TFPIIL23RGLP1RGCGRGIPR
SCHEMBL15186066	0.86	GLP1R (0.63)	TFPIIL23ROPRM1OPRD1OPRK1

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-112639174-B	Method for growing semi-insulating silicon carbide single crystal ingot and apparatus for growing silicon carbide single crystal ingot	赛尼克公司	2022-09-20	—	—	CN	disclosed