SCHEMBL29472195

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.52

▸	NTSR1	P30989	3/20	0.49

▸	NTSR2	O95665	1/20	0.49

▸	OPRD1	P41143	4/20	0.48

▸	OPRM1	P35372	2/20	0.48

▸	OPRK1	P41145	1/20	0.47

▸	MMP1	P03956	1/20	0.46

▸	CHRND	Q07001	1/20	0.45

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
SCHEMBL29472190	0.92	OPRD1 (0.54)	F2NTSR1NTSR2OPRD1OPRM1
SCHEMBL29472199	0.90	F2 (0.48)	F2NTSR1NTSR2OPRD1OPRM1
SCHEMBL29502186	0.90	NPY4R (0.52)	OPRD1OPRM1OPRK1
SCHEMBL29502171	0.90	QRFPR (0.57)	NTSR1NTSR2OPRD1OPRK1
SCHEMBL30405659	0.88	NPY4R (0.53)	OPRD1OPRM1OPRK1
SCHEMBL9294748	0.86	NTSR2 (0.59)	F2NTSR1NTSR2OPRD1OPRM1
SCHEMBL9294767	0.86	NTSR2 (0.59)	F2NTSR1NTSR2OPRD1OPRM1
SCHEMBL31688303	0.86	GLP1R (0.56)	OPRD1OPRM1OPRK1
SCHEMBL30558191	0.85	F2 (0.52)	F2NTSR1NTSR2OPRD1OPRM1
SCHEMBL31257082	0.84	OPRD1 (0.56)	F2NTSR1NTSR2OPRD1OPRM1

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-109134605-B	1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSK, and synthesis, activity and application thereof	首都医科大学	2022-04-22	—	—	CN	disclosed