SCHEMBL4678728

SCHEMBL4678728

CC1(c2ccccc2)CC(c2ccccc2-c2ccc(C#N)cc2C(=O)O)Nc2ccc(C(=N)N)cc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.77
F11 P03951 19/20 0.77
F10 P00742 17/20 0.77

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
SCHEMBL3545087 0.90 F7 (0.75) F7F11F10
SCHEMBL4737098 0.89 F11 (0.75) F7F11F10
SCHEMBL3542439 0.87 F11 (1.00) F7F11F10
SCHEMBL4675050 0.86 F11 (0.76) F7F11F10
SCHEMBL4675560 0.84 F11 (0.77) F7F11F10
SCHEMBL4677713 0.84 F11 (0.78) F7F11F10
SCHEMBL3541241 0.83 F7 (0.71) F7F11F10
SCHEMBL5846549 0.77 F11 (0.76) F7F11F10
SCHEMBL4678730 0.77 F7 (0.64) F7F11F10
SCHEMBL3538346 0.76 F11 (1.00) 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