SCHEMBL7689561

SCHEMBL7689561

CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.40
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 3/20 0.37
SCN5A Q14524 2/20 0.37
NR3C1 P04150 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
ABCB1 P08183 3/20 0.35
SCN3A Q9NY46 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7694683 0.94 MET (0.40) METKCNH2NR3C1LPAR1LPAR5
SCHEMBL7693539 0.93 MET (0.39) METKCNH2NR3C1LPAR1LPAR5
SCHEMBL7692473 0.92 MET (0.38) METLPAR1LPAR5ABCB1ALDH1A1
SCHEMBL7692629 0.92 MET (0.36) METKCNH2LPAR1LPAR5ABCB1
SCHEMBL7693432 0.92 MET (0.39) METLPAR1LPAR5ABCB1ALDH1A1
SCHEMBL7687505 0.91 MET (0.38) METLPAR1LPAR5ALDH1A1CYP2C9
SCHEMBL7686564 0.90 LPAR1 (0.43) METLPAR1LPAR5ALDH1A1CYP2C9
SCHEMBL7694588 0.90 SPHK2 (0.38) METLPAR1LPAR5ALDH1A1CYP2C9
SCHEMBL7692514 0.89 ADRB1 (0.39) METLPAR1LPAR5ALDH1A1CYP2C9
SCHEMBL7698067 0.89 MET (0.43) METLPAR1LPAR5CYP2D6CYP3A4

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed