SCHEMBL6979285

SCHEMBL6979285

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.46
HPN P05981 2/20 0.46
HGFAC Q04756 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
F10 P00742 1/20 0.46
TMPRSS2 O15393 1/20 0.44

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
SCHEMBL7081704 0.97 F2 (0.45) F2HPNHGFACST14F10
SCHEMBL5860352 0.95 PRSS1 (0.46)
SCHEMBL6972556 0.91
SCHEMBL18866677 0.88 F2 (0.47) F2
SCHEMBL18866505 0.88 F2 (0.47) F2
SCHEMBL5861617 0.85 F2 (0.46) F2
SCHEMBL18837911 0.84 F2 (0.43) F2
SCHEMBL18866601 0.84 F2 (0.43) F2
SCHEMBL18866492 0.84 F2 (0.43) F2
SCHEMBL18866597 0.84 F2 (0.43) F2

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-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed