SCHEMBL25037250

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.72

▸	OPRM1	P35372	6/20	0.72

▸	CCKAR	P32238	1/20	0.60

▸	CCKBR	P32239	1/20	0.60

▸	ERAP1	Q9NZ08	2/20	0.57

▸	ERAP2	Q6P179	2/20	0.57

▸	LNPEP	Q9UIQ6	1/20	0.57

▸	KISS1R	Q969F8	1/20	0.56

▸	IL1RN	P18510	1/20	0.56

▸	OPRK1	P41145	1/20	0.55

▸	IL23R	Q5VWK5	1/20	0.54

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
SCHEMBL25037253	1.00	OPRD1 (0.72)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL31106415	0.93	OPRD1 (0.73)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL29657711	0.90	OPRD1 (0.70)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL30307613	0.90	OPRD1 (0.75)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL30307614	0.89	OPRD1 (0.73)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL19731209	0.89	OPRD1 (0.59)	OPRD1OPRM1CCKARCCKBRIL23R
SCHEMBL29842144	0.89	OPRD1 (0.63)	OPRD1OPRM1CCKARCCKBRKISS1R
SCHEMBL31256945	0.88	OPRD1 (0.71)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL30128516	0.88	OPRD1 (0.73)	OPRD1OPRM1CCKARCCKBRERAP1
SCHEMBL31340088	0.88	OPRD1 (0.71)	OPRD1OPRM1CCKARCCKBRERAP1

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
WO-2023019163-A1	METHODS AND COMPOSITIONS FOR EDMAN-LIKE REACTIONS	BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US)	2023-02-16	—	—	WO	disclosed