SCHEMBL31130607

CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.60

▸	RAMP3	O60896	1/20	0.58

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	OPRK1	P41145	2/20	0.57

▸	KDM1A	O60341	1/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	F2	P00734	2/20	0.55

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
SCHEMBL31130610	0.96	RAMP3 (0.64)	CALCRRAMP3KDM1AMAOBKDM5A
SCHEMBL31130613	0.94	CALCR (0.56)	CALCRRAMP3OPRM1OPRD1OPRK1
SCHEMBL29679500	0.91	CALCR (0.64)	CALCRKDM1AMAOBKDM5AKDM1B
SCHEMBL32671608	0.89	RAMP3 (0.60)	CALCRRAMP3OPRM1OPRD1KDM1A
SCHEMBL31474428	0.88	RAMP3 (0.67)	CALCRRAMP3KDM1AMAOBKDM5A
SCHEMBL30567721	0.87	CALCR (0.64)	CALCRRAMP3OPRM1OPRD1OPRK1
SCHEMBL29479848	0.87	F2 (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30428845	0.87	OPRM1 (0.63)	CALCRRAMP3OPRM1OPRD1OPRK1
SCHEMBL31683307	0.86	NPY2R (0.62)	CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL30495648	0.86	RAMP3 (0.67)	CALCRRAMP3KDM1AMAOBKDM5A

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-2024189611-A1	STABILIZED ANALOGUES OF CALCITONIN	YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL)	2024-09-19	—	—	WO	disclosed