SCHEMBL8973366

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.64

▸	OPRM1	P35372	1/20	0.55

▸	OPRD1	P41143	1/20	0.55

▸	OPRK1	P41145	1/20	0.55

▸	OPRL1	P41146	2/20	0.55

▸	BACE1	P56817	1/20	0.55

▸	BACE2	Q9Y5Z0	1/20	0.55

▸	KEAP1	Q14145	3/20	0.53

▸	KISS1R	Q969F8	4/20	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
SCHEMBL8973360	1.00	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1OPRL1
SCHEMBL31497331	0.89	BACE1 (0.67)	TFPIBACE1BACE2KEAP1KISS1R
SCHEMBL31497383	0.87	BACE1 (0.65)	TFPIBACE1BACE2KISS1R
SCHEMBL31497356	0.87	BACE1 (0.65)	TFPIBACE1BACE2KISS1R
SCHEMBL29466809	0.84	TFPI (0.70)	TFPIOPRL1
SCHEMBL29466813	0.84	TFPI (0.70)	TFPIOPRL1
SCHEMBL30312048	0.84	BACE1 (0.60)	TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL31497390	0.84	BACE1 (0.60)	TFPIBACE1BACE2KISS1R
SCHEMBL8973577	0.84	TFPI (0.53)	TFPIOPRM1OPRD1OPRK1KISS1R
SCHEMBL8973584	0.84	TFPI (0.53)	TFPIOPRM1OPRD1OPRK1KISS1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5486595-A	Tumor necrosis factor inhibitors	CENTECOR, INC. (US)	1996-01-23	—	—	US	disclosed
WO-1995026744-A1	TUMOR NECROSIS FACTOR INHIBITORS	CENTOCOR, INC. (US)	1995-10-12	—	—	WO	disclosed