SCHEMBL30726640

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.56

▸	RAMP1	O60894	1/20	0.56

▸	CALCR	P30988	4/20	0.53

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	GLP1R	P43220	6/20	0.51

▸	GIPR	P48546	6/20	0.51

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
SCHEMBL31000916	0.96	CALCRL (0.53)	CALCRLRAMP1CALCROPRM1OPRD1
SCHEMBL31000912	0.93	CALCR (0.54)	CALCRLCALCRGLP1RGIPR
SCHEMBL30906415	0.92	CALCRL (0.53)	CALCRLRAMP1CALCROPRD1
SCHEMBL30906367	0.92	OPRD1 (0.54)	CALCROPRM1OPRD1GLP1RGIPR
SCHEMBL29610214	0.86	CALCR (0.62)	CALCRLCALCROPRM1OPRD1
SCHEMBL31182463	0.86	CALCR (0.60)	CALCRLCALCRGLP1RGIPR
SCHEMBL29656041	0.86	OPRD1 (0.61)	CALCROPRM1OPRD1
SCHEMBL29661272	0.85	OPRD1 (0.62)	OPRM1OPRD1
SCHEMBL31031608	0.85	CALCRL (0.64)	CALCRLRAMP1OPRM1OPRD1
SCHEMBL29655865	0.85	OPRD1 (0.61)	CALCROPRM1OPRD1

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-2024020063-A2	ANTI-HRF ANTIBODIES	LA JOLLA INSTITUTE FOR IMMUNOLOGY (US)	2024-01-25	—	—	WO	disclosed