SCHEMBL6588917

SCHEMBL6588917

CCOC(=O)C(C)(C)Oc1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.40
PTGER1 P34995 3/20 0.37
XDH P47989 3/20 0.36
SLC6A9 P48067 1/20 0.36
PPIA P62937 1/20 0.35
FFAR1 O14842 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL7940787 0.91 MRGPRX4 (0.38) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6591101 0.84 MRGPRX4 (0.39) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6590192 0.84 MRGPRX4 (0.39) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6590066 0.83 MRGPRX4 (0.38) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6591887 0.83 MRGPRX4 (0.38) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6592357 0.83 F10 (0.36) MRGPRX4PTGER1FFAR1
SCHEMBL6595090 0.83 MRGPRX4 (0.39) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6596992 0.83 MRGPRX4 (0.39) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6595958 0.83 MRGPRX4 (0.38) MRGPRX4PTGER1XDHSLC6A9PPIA
SCHEMBL6594261 0.83 MRGPRX4 (0.38) MRGPRX4PTGER1XDHSLC6A9PPIA

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