SCHEMBL4041675

SCHEMBL4041675

CC(C(N)=O)c1cccc(CNC[C@H](O)[CH]Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.50
CTSD P07339 4/20 0.50
BCHE P06276 3/20 0.40

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
SCHEMBL4036954 0.94 BACE1 (0.46) BACE1CTSDBCHE
SCHEMBL3939381 0.89 BCHE (0.47) BACE1CTSDBCHE
SCHEMBL3348652 0.83 BACE1 (0.41) BACE1CTSD
SCHEMBL3355569 0.80 BACE1 (0.42) BACE1CTSD
SCHEMBL3351919 0.80 BACE1 (0.46) BACE1CTSD
SCHEMBL6647479 0.80 BACE1 (0.46) BACE1CTSD
SCHEMBL7051773 0.77 BACE1 (0.49) BACE1CTSD
SCHEMBL4043818 0.71 BCHE (0.41) BACE1BCHE
SCHEMBL4045031 0.71 KDM1A (0.46) BACE1CTSDBCHE
SCHEMBL7048932 0.70 DNM1 (0.48) BACE1BCHE

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-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed