SCHEMBL7660874

SCHEMBL7660874

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.47
PLAU P00749 3/20 0.45
SMPD1 P17405 1/20 0.44
NR4A2 P43354 1/20 0.42
GPR34 Q9UPC5 1/20 0.41
NTRK1 P04629 2/20 0.41
PIK3CA P42336 1/20 0.41
MAOB P27338 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
F2 P00734 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
PRKDC P78527 1/20 0.39
ATR Q13535 1/20 0.39

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
SCHEMBL7714047 0.93 MRGPRX4 (0.51) MRGPRX4PLAUSMPD1NR4A2GPR34
SCHEMBL7662548 0.91 MRGPRX4 (0.51) MRGPRX4PLAUSMPD1NR4A2GPR34
SCHEMBL7665912 0.86 MRGPRX4 (0.48) MRGPRX4PLAUSMPD1GPR34FFAR1
SCHEMBL7662745 0.84 MRGPRX4 (0.46) MRGPRX4PLAUSMPD1GPR34EGLN1
SCHEMBL7670815 0.84 MRGPRX4 (0.47) MRGPRX4PLAUMAOBFFAR1FFAR4
SCHEMBL7658946 0.84 MRGPRX4 (0.51) MRGPRX4PLAUGPR34MAOBFFAR1
SCHEMBL7668085 0.84 F2 (0.58) MRGPRX4PLAUNR4A2F2
SCHEMBL6753784 0.82 LOXL2 (0.53) MRGPRX4PLAUEGLN1
SCHEMBL7670999 0.82 MRGPRX4 (0.46) MRGPRX4PLAUSMPD1NR4A2GPR34
SCHEMBL7664318 0.82 MRGPRX4 (0.52) MRGPRX4PLAUPRKDCATR

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