SCHEMBL30414079

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

nearest known ligand 0.63

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	IL23R	Q5VWK5	4/20	0.59

▸	VIPR2	P41587	5/20	0.57

▸	VIPR1	P32241	3/20	0.57

▸	OPRL1	P41146	2/20	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
SCHEMBL30414074	0.98	TFPI (0.60)	TFPIIL23R
SCHEMBL22807671	0.95	TFPI (0.64)	TFPIIL23RVIPR1OPRL1
SCHEMBL30413638	0.95	IL23R (0.61)	TFPIIL23R
SCHEMBL30412542	0.95	TFPI (0.59)	TFPIIL23R
SCHEMBL29372983	0.94	TFPI (0.64)	TFPIIL23RVIPR1OPRL1
SCHEMBL30413127	0.92	IL23R (0.61)	IL23R
SCHEMBL30414545	0.92	TFPI (0.60)	TFPIIL23R
SCHEMBL29426546	0.92	TFPI (0.62)	TFPIIL23R
SCHEMBL29418231	0.92	TFPI (0.62)	TFPIIL23R
SCHEMBL30973957	0.92	TFPI (0.64)	TFPIIL23RVIPR2VIPR1OPRL1

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
US-20230201380-A1	NON-INVASIVE AND LONGITUDINAL MONITORING OF MICROGLIAL ACTIVATION IN RAT BRAIN WITH SUPERMAGNETIC NANOPARTICLE ENHANCED MR IMAGING	UNM RAINFOREST INNOVATIONS (US)	2023-06-29	—	—	US	disclosed