SCHEMBL6980997

SCHEMBL6980997

COC(=O)[C@@H]1CN(Cc2ccccc2)O[C@H]1c1cccc(C(=N)N)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.74
PRSS1 P07477 13/20 0.74
HPN P05981 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HGFAC Q04756 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL6980998 1.00 F10 (0.74) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6981002 1.00 F10 (0.74) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6981721 0.85 F10 (1.00) F10PRSS1
SCHEMBL6984948 0.81 F10 (0.73) F10PRSS1
SCHEMBL6985486 0.81 F10 (0.51) F10PRSS1
SCHEMBL6985483 0.81 F10 (0.51) F10PRSS1
SCHEMBL6985479 0.81 F10 (0.51) F10PRSS1
SCHEMBL6984953 0.81 F10 (0.73) F10PRSS1
SCHEMBL6983480 0.75 F10 (0.73) F10PRSS1
SCHEMBL6983485 0.75 F10 (0.73) F10PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP claimed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US claimed
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP disclosed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US disclosed