SCHEMBL23512648

NCCOCCNC(=O)[C@@H]1CCNC(=O)/C=C/C(=O)N2CCC[C@](Cc3ccccc3)(C2)C(=O)N[C@@H](Cc2ccc(-c3cccc(CCC(=O)Oc4cccc(C[C@@]56CCCN(C5)C(=O)/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc5ccccc5CNC(=O)[C@H](Cc5ccc(-c7cccc(CC(=O)O)c7)cc5)NC6=O)c4)c3)cc2)C(=O)NCc2ccccc2CC(=O)N1

nearest known ligand 0.82

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	PPIE	Q9UNP9	1/20	0.82

▸	SLC40A1	Q9NP59	1/20	0.30

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
SCHEMBL25146436	0.95	PPIE (0.91)	PPIESLC40A1
SCHEMBL25146782	0.94	PPIE (0.90)	PPIESLC40A1
SCHEMBL25146434	0.92	PPIE (0.94)	PPIESLC40A1
SCHEMBL25146427	0.91	PPIE (0.92)	PPIESLC40A1
SCHEMBL23512388	0.91	PPIE (1.00)	PPIESLC40A1
SCHEMBL23512459	0.90	PPIE (0.91)	PPIESLC40A1
SCHEMBL25146492	0.90	PPIE (0.93)	PPIESLC40A1
SCHEMBL23512400	0.90	PPIE (0.92)	PPIESLC40A1
SCHEMBL25146703	0.90	PPIE (0.96)	PPIESLC40A1
SCHEMBL25146494	0.89	PPIE (0.91)	PPIESLC40A1

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-2021119249-A1	CYCLOPHILIN D INHIBITORS AND USES THEREOF	THE BROAD INSTITUTE, INC. (US)	2021-06-17	—	—	WO	disclosed