SCHEMBL6979303

SCHEMBL6979303

COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H]1c1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.49
PRSS1 P07477 6/20 0.49
RORC P51449 1/20 0.47
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
MCHR1 Q99705 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
FAAH O00519 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
SCHEMBL6979292 1.00 F10 (0.49) F10PRSS1RORCDRD2DRD3
SCHEMBL6979297 1.00 F10 (0.49) F10PRSS1RORCDRD2DRD3
SCHEMBL6980591 0.93 F10 (0.51) F10PRSS1DRD2DRD3DPP4
SCHEMBL6980596 0.93 F10 (0.51) F10PRSS1DRD2DRD3DPP4
SCHEMBL6980593 0.93 F10 (0.51) F10PRSS1DRD2DRD3DPP4
SCHEMBL6986028 0.91 F10 (0.51) F10PRSS1RORCDRD2DRD3
SCHEMBL6986034 0.91 F10 (0.51) F10PRSS1RORCDRD2DRD3
SCHEMBL6986023 0.91 F10 (0.51) F10PRSS1RORCDRD2DRD3
SCHEMBL6983039 0.83 RORC (0.53) F10RORCDRD2DRD3DPP4
SCHEMBL6983045 0.83 RORC (0.53) F10RORCDRD2DRD3DPP4

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