SCHEMBL29416557

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	GLP1R	P43220	2/20	0.67

▸	GCGR	P47871	1/20	0.67

▸	GIPR	P48546	1/20	0.67

▸	VIPR1	P32241	3/20	0.65

▸	VIPR2	P41587	5/20	0.62

▸	CCKBR	P32239	1/20	0.62

▸	NR3C1	P04150	2/20	0.62

▸	KISS1R	Q969F8	2/20	0.59

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
SCHEMBL27043239	1.00	TFPI (0.68)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29496440	0.95	VIPR1 (0.71)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29701273	0.95	TFPI (0.74)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL31182595	0.94	GLP1R (0.68)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29939512	0.92	GLP1R (0.65)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29405269	0.92	VIPR1 (0.71)	TFPIGLP1RVIPR1VIPR2KISS1R
SCHEMBL32681425	0.92	VIPR1 (0.71)	TFPIGLP1RVIPR1VIPR2KISS1R
SCHEMBL30038758	0.92	VIPR1 (0.63)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL197505	0.92	GLP1R (0.71)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL34139	0.92	GLP1R (0.71)	TFPIGLP1RGCGRGIPRVIPR1

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
CN-118907173-A	Parking brake control system and vehicle	中车唐山机车车辆有限公司	2024-11-08	—	—	CN	disclosed
CN-113968863-A	Organic compound and application thereof	北京鼎材科技有限公司	2022-01-25	—	—	CN	disclosed