SCHEMBL7495703

SCHEMBL7495703

CCOC(=O)C1CC(OCc2ccccc2)CN1c1c(F)c(F)nc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.37
AGTR2 P50052 2/20 0.37
BDKRB2 P30411 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MMP9 P14780 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSS P25774 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7486401 0.82 SLC6A9 (0.36) POLBL3MBTL1CTSS
SCHEMBL17691471 0.71 POLB (0.48) POLBL3MBTL1
SCHEMBL18569856 0.71 POLB (0.48) POLBL3MBTL1
SCHEMBL28721236 0.71 POLB (0.48) POLBL3MBTL1
SCHEMBL28490355 0.71 POLB (0.44) POLBALDH1A1L3MBTL1PKMNPSR1
SCHEMBL2605500 0.70 PKM (0.49) POLBALDH1A1L3MBTL1PKMNPSR1
SCHEMBL8351735 0.70 PKM (0.49) POLBALDH1A1L3MBTL1PKMNPSR1
SCHEMBL8350324 0.70 PKM (0.49) POLBALDH1A1L3MBTL1PKMNPSR1
SCHEMBL7488669 0.69 ALDH1A1 (0.40) ALDH1A1L3MBTL1NPSR1
SCHEMBL20489039 0.68 FABP7 (0.43) AGTR2ALDH1A1L3MBTL1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed