SCHEMBL6578808

SCHEMBL6578808

C[C](C)CC(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
MCL1 Q07820 1/20 0.58
EPHX2 P34913 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7126303 0.88 GAA (0.63) GAAKMT2AMEN1MCL1EPHX2
SCHEMBL3087061 0.87 GAA (0.73) GAAKMT2AMEN1MCL1L3MBTL1
SCHEMBL622501 0.83 GAA (0.68) GAAKMT2AMEN1MCL1EPHX2
SCHEMBL13620016 0.82 GAA (0.61) GAAKMT2AMEN1MCL1EPHX2
SCHEMBL9080 0.82 GAA (0.66) GAAKMT2AMEN1MCL1EPHX2
SCHEMBL97001 0.81 KMT2A (0.68) GAAKMT2AMEN1CYP2C19HPGD
SCHEMBL6307396 0.81 GAA (0.70) GAAKMT2AMEN1EPHX2CYP3A4
SCHEMBL7529131 0.81 GAA (0.59) GAAKMT2AMEN1MCL1EPHX2
SCHEMBL2922871 0.81 NPC1 (0.59) GAAKMT2AMEN1MCL1EPHX2
SCHEMBL26887310 0.81 GAA (0.59) GAAKMT2AMEN1MCL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP disclosed
EP-0813525-B1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2003-10-01 EP disclosed
US-6350746-B1 FACTOR XA ENZYME INHIBITORS BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
US-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 US disclosed
US-6034103-A THROMBOSIS THERAPY BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US disclosed
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed