SCHEMBL7269553

SCHEMBL7269553

NC(CC1CCCCC1)[C@@H](O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ METAP2 P50579 3/20 0.38
▸ METAP1 P53582 3/20 0.38
▸ CTSK P43235 1/20 0.36
▸ GCK P35557 8/20 0.35
▸ CNR2 P34972 1/20 0.34

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7269543 1.00 POLB (0.39) POLBEPHX2METAP2METAP1CTSK
SCHEMBL7299275 1.00 POLB (0.39) POLBEPHX2METAP2METAP1CTSK
SCHEMBL7269925 1.00 POLB (0.39) POLBEPHX2METAP2METAP1CTSK
SCHEMBL7269929 1.00 POLB (0.39) POLBEPHX2METAP2METAP1CTSK
SCHEMBL7269548 1.00 POLB (0.39) POLBEPHX2METAP2METAP1CTSK
SCHEMBL7269271 1.00 POLB (0.39) POLBEPHX2METAP2METAP1CTSK
SCHEMBL7316703 0.77 POLB (0.43) POLBEPHX2CTSKGCKCNR2
SCHEMBL7316693 0.77 POLB (0.43) POLBEPHX2CTSKGCKCNR2
SCHEMBL7424256 0.75 REN (0.41) METAP2METAP1CTSKGCKCNR2
SCHEMBL9740699 0.75 REN (0.41) METAP2METAP1CTSKGCKCNR2

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.

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