SCHEMBL6593256

SCHEMBL6593256

CCOC(=O)C(Cc1c[nH]c2ccccc12)Oc1c(F)c(Oc2cccc(-c3nccn3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HTR6 P50406 3/20 0.35
KCNH2 Q12809 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
AKT1 P31749 3/20 0.34
SCN9A Q15858 1/20 0.34
PTGER1 P34995 1/20 0.34
TACR1 P25103 1/20 0.34
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL6593353 0.89 HTR6 (0.36) MAPTHTR6KCNH2LMNATP53
SCHEMBL6596620 0.89 PTGER1 (0.36) PTGER1F2F10
SCHEMBL6587306 0.89 FFAR1 (0.39) PTGER1F2F10
SCHEMBL6596352 0.88 F10 (0.35) PTGER1F2F10
SCHEMBL6592628 0.88 ICMT (0.36) PTGER1MEN1KMT2AF2F10
SCHEMBL6593065 0.88 F10 (0.36) PTGER1F2F10
SCHEMBL6593517 0.85 MAPT (0.41) MAPTHTR6KCNH2LMNATP53
SCHEMBL6592361 0.84 ICMT (0.38) PTGER1F2F10
SCHEMBL6587497 0.83 F10 (0.36) F2F10
SCHEMBL6592357 0.81 F10 (0.36) PTGER1F2F10

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