SCHEMBL7714047

SCHEMBL7714047

COC(=O)c1cc(COc2cccc(C#N)c2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.51
PLAU P00749 2/20 0.48
SMPD1 P17405 1/20 0.48
GPR34 Q9UPC5 1/20 0.47
NR4A2 P43354 1/20 0.46
EGLN1 Q9GZT9 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GAA P10253 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
KAT6A Q92794 1/20 0.42

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
SCHEMBL7662548 0.96 MRGPRX4 (0.51) MRGPRX4PLAUSMPD1GPR34NR4A2
SCHEMBL7660874 0.93 MRGPRX4 (0.47) MRGPRX4PLAUSMPD1GPR34NR4A2
SCHEMBL7665912 0.90 MRGPRX4 (0.48) MRGPRX4PLAUSMPD1GPR34FFAR1
SCHEMBL7662745 0.89 MRGPRX4 (0.46) MRGPRX4PLAUSMPD1GPR34EGLN1
SCHEMBL7658946 0.89 MRGPRX4 (0.51) MRGPRX4PLAUGPR34FFAR1FFAR4
SCHEMBL7670815 0.89 MRGPRX4 (0.47) MRGPRX4PLAUFFAR1FFAR4GAA
SCHEMBL7670999 0.86 MRGPRX4 (0.46) MRGPRX4PLAUSMPD1GPR34NR4A2
SCHEMBL6751413 0.85 PLAU (0.47) MRGPRX4PLAUEGLN1KAT6A
SCHEMBL7661462 0.85 RAB9A (0.46) MRGPRX4PLAUSMPD1GPR34NR4A2
SCHEMBL7663246 0.84 MRGPRX4 (0.48) MRGPRX4PLAUGPR34GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380430-B1 ANTICOAGULANTS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTERHAFTUNG (DE) 2002-04-30 US disclosed