SCHEMBL8336240

SCHEMBL8336240

COC1C(=O)C(C(=O)O)=CC=C1c1c(F)c(Oc2cccc(N)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.38
MRGPRX4 Q96LA9 5/20 0.37
F10 P00742 6/20 0.35
F7 P08709 5/20 0.35
F3 P13726 5/20 0.35
SLC6A9 P48067 1/20 0.33
PLAU P00749 2/20 0.33
PLG P00747 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
SCHEMBL8340137 0.89 F10 (0.38) PTGER1MRGPRX4F10F7F3
SCHEMBL6578738 0.80 MRGPRX4 (0.43) PTGER1MRGPRX4F10F7F3
SCHEMBL8336242 0.78 F7 (0.41) PTGER1MRGPRX4F10F7F3
SCHEMBL6580856 0.69 MEN1 (0.44) MRGPRX4F10F7F3
SCHEMBL6579083 0.67 F10 (0.44) PTGER1MRGPRX4F10PLAUPLG
SCHEMBL6581757 0.67 MRGPRX4 (0.46) PTGER1MRGPRX4
SCHEMBL6579202 0.66 F10 (0.43) PTGER1F10SLC6A9PLAUPLG
SCHEMBL6581766 0.66 MRGPRX4 (0.52) PTGER1MRGPRX4F10
SCHEMBL6578675 0.66 F2 (0.47) PTGER1MRGPRX4F10PLAU
SCHEMBL6774708 0.66 TTR (0.42) F10F7F3PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5877181-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-02 US disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed