SCHEMBL7270165

CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.[O-]P([O-])F.[O-]P([O-])F.[O-]P([O-])F.[O-]P([O-])F.[O-]P([O-])F.[O-]P([O-])F

nearest known ligand 0.44

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	SLC9A1	P19634	3/20	0.44

▸	KEAP1	Q14145	1/20	0.44

▸	TSHR	P16473	2/20	0.43

▸	NPSR1	Q6W5P4	2/20	0.43

▸	RXFP1	Q9HBX9	1/20	0.43

▸	KMT2A	Q03164	6/20	0.39

▸	HDAC3	O15379	3/20	0.39

▸	HDAC4	P56524	3/20	0.39

▸	HDAC1	Q13547	3/20	0.39

▸	HDAC7	Q8WUI4	3/20	0.39

▸	HDAC2	Q92769	3/20	0.39

▸	HDAC10	Q969S8	3/20	0.39

▸	HDAC11	Q96DB2	3/20	0.39

▸	HDAC8	Q9BY41	3/20	0.39

▸	HDAC6	Q9UBN7	3/20	0.39

▸	HDAC9	Q9UKV0	3/20	0.39

▸	HDAC5	Q9UQL6	3/20	0.39

▸	MAPT	P10636	3/20	0.38

▸	NPC1	O15118	2/20	0.37

▸	RAB9A	P51151	2/20	0.37

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
SCHEMBL29399678	0.93	SLC9A1 (0.50)	SLC9A1KEAP1TSHRNPSR1RXFP1
Hydrochloric Acid SCHEMBL3737085	0.91	SLC9A1 (0.49)	SLC9A1KEAP1TSHRNPSR1RXFP1
Hydrochloric Acid SCHEMBL30591144	0.91	SLC9A1 (0.49)	SLC9A1KEAP1TSHRNPSR1RXFP1
Fluoride Ion SCHEMBL6345	0.91	SLC9A1 (0.49)	SLC9A1KEAP1TSHRNPSR1RXFP1
Phosphine SCHEMBL30298295	0.91	SLC9A1 (0.49)	SLC9A1KEAP1TSHRNPSR1RXFP1
Bromide SCHEMBL30556235	0.91	SLC9A1 (0.49)	SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL936125	0.90	SLC9A1 (0.42)	SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL1497619	0.90	SLC9A1 (0.45)	SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL29352246	0.90	SLC9A1 (0.45)	SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL28432280	0.90	SLC9A1 (0.45)	SLC9A1KEAP1TSHRNPSR1RXFP1

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-0376040-A2	N-phosphinyl di-and tripeptides as renin inhibitors	AMERICAN CYANAMID COMPANY (US)	1990-07-04	—	—	EP	disclosed