SCHEMBL6595080

SCHEMBL6595080

COC(=O)C(C)(N)CCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.38
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DGAT1 O75907 1/20 0.34
FDPS P14324 1/20 0.33
PDE3A Q14432 1/20 0.33
PAOX Q6QHF9 3/20 0.32
CYP1A2 P05177 2/20 0.32
GGT1 P19440 1/20 0.31
TSHR P16473 2/20 0.30
GABRR3 A8MPY1 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30

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
SCHEMBL7203815 1.00 ODC1 (0.38) ODC1LMNABLMARG1ARG2
SCHEMBL7203818 1.00 ODC1 (0.38) ODC1LMNABLMARG1ARG2
Ammonia Solution, Strong SCHEMBL27694659 0.98 ODC1 (0.37) ODC1LMNABLMARG1ARG2
SCHEMBL31325597 0.94 ARG1 (0.39) ODC1LMNABLMARG1ARG2
SCHEMBL17138101 0.83 FDPS (0.41) LMNAARG1ARG2MAPTDGAT1
SCHEMBL22854370 0.83 FDPS (0.41) LMNAARG1ARG2MAPTDGAT1
Hydrochloric Acid SCHEMBL29099886 0.82 FDPS (0.39) LMNAARG1ARG2MAPTDGAT1
SCHEMBL12138662 0.82 CYP4A11 (0.46) ARG1ARG2DGAT1GGT1THRB
Hydrochloric Acid SCHEMBL29099884 0.82 FDPS (0.39) LMNAARG1ARG2MAPTDGAT1
SCHEMBL13689469 0.81 CYP4F2 (0.40) ODC1LMNABLMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888271-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-04-28 EP disclosed
US-6242454-B1 Benzamidine derivatives substituted by amino acid and hydroxy acid derivatives and their use as anti-coagulants BERLEX LABORATORIES INC. 2001-06-05 US disclosed
US-6166088-A CONTROLLING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6071912-A INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES BERLEX LABORATORIES, INC. (US) 2000-06-06 US disclosed
EP-0888271-A4 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2000-03-15 EP disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed