SCHEMBL4678730

SCHEMBL4678730

CC1(c2ccccc2)CC(c2c(C#N)ccc(-c3ccccc3)c2C(=O)O)Nc2ccc(C(=N)N)cc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.64
F11 P03951 19/20 0.64
F10 P00742 17/20 0.64

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
SCHEMBL4734770 0.89 F7 (0.65) F7F11F10
SCHEMBL4674315 0.88 F7 (0.69) F7F11F10
SCHEMBL4737101 0.88 F7 (0.67) F7F11F10
SCHEMBL4679029 0.85 F7 (0.64) F7F11F10
SCHEMBL4675052 0.85 F7 (0.68) F7F11F10
SCHEMBL4677718 0.83 F7 (0.65) F7F11F10
SCHEMBL4675561 0.83 F7 (0.70) F7F11F10
SCHEMBL4735584 0.78 F11 (0.63) F7F11F10
SCHEMBL3542439 0.78 F11 (1.00) F7F11F10
SCHEMBL4682668 0.77 F11 (0.67) F7F11F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601656-A4 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP claimed
EP-1601656-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-07 EP claimed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 WO claimed