SCHEMBL7658946

SCHEMBL7658946

COC(=O)c1cc(COc2ccc(C(C)C)cc2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.51
FFAR1 O14842 3/20 0.46
PLAU P00749 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
ADAMTS4 O75173 2/20 0.44
MMP13 P45452 2/20 0.44
MAOB P27338 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
GPR34 Q9UPC5 1/20 0.41

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
SCHEMBL7668685 0.90 MRGPRX4 (0.45) MRGPRX4PLAUMMP13
SCHEMBL7714047 0.89 MRGPRX4 (0.51) MRGPRX4FFAR1PLAUNR1H4FFAR4
SCHEMBL7662548 0.89 MRGPRX4 (0.51) MRGPRX4FFAR1PLAUNR1H4FFAR4
SCHEMBL7665912 0.88 MRGPRX4 (0.48) MRGPRX4FFAR1PLAUADAMTS4MMP13
SCHEMBL7670815 0.86 MRGPRX4 (0.47) MRGPRX4FFAR1PLAUMAOBFFAR4
SCHEMBL7662745 0.84 MRGPRX4 (0.46) MRGPRX4FFAR1PLAUFFAR4GPR34
SCHEMBL7665464 0.84 MRGPRX4 (0.54) MRGPRX4RXRARXRBNR1H4ADAMTS4
SCHEMBL7660874 0.84 MRGPRX4 (0.47) MRGPRX4FFAR1PLAUMAOBFFAR4
SCHEMBL6751413 0.81 PLAU (0.47) MRGPRX4PLAUMMP13
SCHEMBL7663246 0.80 MRGPRX4 (0.48) MRGPRX4PLAUGPR34

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed