SCHEMBL7449123

SCHEMBL7449123

CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3c(C)c(OC(=O)N(CCC(=O)O)c4ccccn4)ccc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.40
NR1I2 O75469 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SLC6A2 P23975 1/20 0.40
AGTR1 P30556 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
NQO2 P16083 2/20 0.38
SLC22A2 O15244 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
PROC P04070 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
NPC1 O15118 1/20 0.35

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
SCHEMBL7445500 0.95 F2 (0.42) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7452514 0.95 F2 (0.42) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL5555934 0.95 F2 (0.46) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7446037 0.95 F2 (0.42) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7453707 0.95 F2 (0.46) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7442445 0.95 F2 (0.42) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7446902 0.94 F2 (0.41) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7453308 0.93 NQO2 (0.40) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7452110 0.88 NPC1 (0.36) F2NR1I2ADORA3SLC6A2AGTR1
SCHEMBL7448713 0.88 NQO2 (0.43) F2NR1I2ADORA3SLC6A2AGTR1

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
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed