SCHEMBL6590030

SCHEMBL6590030

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.42
MAPT P10636 3/20 0.38
HTR6 P50406 3/20 0.37
KCNH2 Q12809 3/20 0.37
ECE1 P42892 1/20 0.37
PTGS2 P35354 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
PTPN1 P18031 2/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
LTA4H P09960 1/20 0.35
PLA2G2A P14555 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.35
GAA P10253 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
SCHEMBL6591067 0.87 MRGPRX4 (0.38) LMNA
SCHEMBL6591354 0.86 MRGPRX4 (0.34) HTR6KCNH2LMNA
SCHEMBL6593353 0.86 HTR6 (0.36) TACR1MAPTHTR6KCNH2ECE1
SCHEMBL6593172 0.86 FFAR1 (0.39) LMNA
SCHEMBL6592428 0.86 MRGPRX4 (0.38) LMNAKDR
SCHEMBL6593517 0.86 MAPT (0.41) TACR1MAPTHTR6KCNH2ECE1
SCHEMBL6592700 0.85 MRGPRX4 (0.37) LMNAMEN1KMT2A
SCHEMBL6590354 0.85 MRGPRX4 (0.37) LMNA
SCHEMBL6590500 0.84 MRGPRX4 (0.39) LMNA
SCHEMBL6593252 0.83 MRGPRX4 (0.36) LMNAKDR

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