SCHEMBL29678306

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.56

▸	BACE1	P56817	3/20	0.53

▸	VIPR1	P32241	3/20	0.52

▸	BACE2	Q9Y5Z0	1/20	0.51

▸	VIPR2	P41587	5/20	0.50

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
SCHEMBL31690551	0.99	KISS1R (0.56)	KISS1RBACE1VIPR1BACE2VIPR2
SCHEMBL30184172	0.97	KISS1R (0.53)	KISS1RBACE1VIPR1BACE2VIPR2
SCHEMBL31690550	0.96	KISS1R (0.56)	KISS1RBACE1VIPR1BACE2VIPR2
SCHEMBL30865069	0.95	KISS1R (0.54)	KISS1RBACE1VIPR1
SCHEMBL30184408	0.94	BACE1 (0.56)	KISS1RBACE1VIPR1BACE2
SCHEMBL29627568	0.93	KISS1R (0.54)	KISS1RBACE1VIPR1BACE2VIPR2
SCHEMBL30865079	0.93	BACE1 (0.58)	KISS1RBACE1BACE2
SCHEMBL29353346	0.91	VIPR1 (0.53)	KISS1RBACE1VIPR1BACE2VIPR2
SCHEMBL30752382	0.91	VIPR1 (0.53)	KISS1RBACE1VIPR1BACE2VIPR2
SCHEMBL29907889	0.91	VIPR1 (0.53)	KISS1RBACE1VIPR1BACE2VIPR2

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
EP-4007594-A1	PREMIXED ULTRA-STABLE SINGLE-CHAIN INSULIN ANALOGUE FORMULATIONS	CASE WESTERN RESERVE UNIVERSITY (US)	2022-06-08	—	—	EP	disclosed