SCHEMBL6985486

SCHEMBL6985486

COC(=O)C1CN(Cc2ccccc2)OC1c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.51
PRSS1 P07477 4/20 0.51
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
FAAH O00519 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.38
MGLL Q99685 1/20 0.38
CCR3 P51677 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL6985479 1.00 F10 (0.51) F10PRSS1SIRT2SIRT1DRD2
SCHEMBL6985483 1.00 F10 (0.51) F10PRSS1SIRT2SIRT1DRD2
SCHEMBL6986091 0.91 F10 (0.49) F10PRSS1SIRT2SIRT1DRD2
SCHEMBL6986095 0.91 F10 (0.49) F10PRSS1SIRT2SIRT1DRD2
SCHEMBL6986090 0.91 F10 (0.49) F10PRSS1SIRT2SIRT1DRD2
SCHEMBL6980989 0.83 F10 (0.61) F10PRSS1
SCHEMBL6980992 0.83 F10 (0.61) F10PRSS1
SCHEMBL6980998 0.81 F10 (0.74) F10PRSS1
SCHEMBL6981002 0.81 F10 (0.74) F10PRSS1
SCHEMBL6980997 0.81 F10 (0.74) 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 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
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed