SCHEMBL6593353

SCHEMBL6593353

CCOC(=O)C(Cc1c[nH]c2ccccc12)N(C)c1c(F)c(Oc2cccc(-c3nccn3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
KCNH2 Q12809 3/20 0.36
TACR1 P25103 2/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
IL1RN P18510 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
AKT1 P31749 2/20 0.33
SCN9A Q15858 1/20 0.33
ECE1 P42892 1/20 0.33
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL6593256 0.89 MAPT (0.36) HTR6KCNH2TACR1MAPTLMNA
SCHEMBL6590237 0.89 F2 (0.36) F2F10PLGPLAUPLAT
SCHEMBL6591343 0.89 FFAR1 (0.38) F2F10PLGPLAUPLAT
SCHEMBL6590932 0.88 F10 (0.35) F2F10PLGPLAUPLAT
SCHEMBL6596602 0.87 F2 (0.37) F2F10PLGPLAUPLAT
SCHEMBL6590030 0.86 TACR1 (0.42) HTR6KCNH2TACR1MAPTLMNA
SCHEMBL6592182 0.83 F2 (0.37) F2F10
SCHEMBL6594348 0.82 ICMT (0.34) F2F10PLGPLAUPLAT
SCHEMBL6596352 0.81 F10 (0.35) F2F10PLGPLAUPLAT
SCHEMBL6596620 0.81 PTGER1 (0.36) F2F10PLGPLAUPLAT

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-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
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed