SCHEMBL7412877

SCHEMBL7412877

CCOC(=O)C1CSCN1c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.36
SLC6A9 P48067 1/20 0.35
PTGER1 P34995 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.33
EGFR P00533 2/20 0.33
XDH P47989 1/20 0.33
AGTR2 P50052 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL7415795 0.88 POLB (0.42) MRGPRX4SLC6A9PTGER1PTGDR2POLB
SCHEMBL7486401 0.86 SLC6A9 (0.36) MRGPRX4SLC6A9PTGER1PTGDR2POLB
SCHEMBL7493775 0.86 MRGPRX4 (0.37) MRGPRX4SLC6A9PTGER1PTGDR2XDH
SCHEMBL7416412 0.84 F2 (0.42) PTGER1POLBEGFR
SCHEMBL7485918 0.84 SLC6A9 (0.39) MRGPRX4SLC6A9PTGER1EGFRMAPT
SCHEMBL7490076 0.83 SLC6A9 (0.36) MRGPRX4SLC6A9PTGER1PTGDR2MAPT
SCHEMBL7489934 0.83 MRGPRX4 (0.35) MRGPRX4SLC6A9PTGER1PTGDR2XDH
SCHEMBL7420284 0.78 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1XDH
SCHEMBL7493737 0.78 SLC6A9 (0.38) MRGPRX4SLC6A9PTGER1POLBXDH
SCHEMBL7492184 0.78 MRGPRX4 (0.38) MRGPRX4SLC6A9PTGER1EGFRXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed
EP-0929547-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed