SCHEMBL5405595

SCHEMBL5405595

O=C(O)CC(=O)C(CCC(c1ccccc1)c1ccccc1)OCCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY1R P25929 1/20 0.38
PTPRA P18433 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
HRH2 P25021 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL5406749 0.82 EPHX2 (0.43) EPHX2SMN1; SMN2RAB9ALMNA
SCHEMBL5405591 0.75 PTPRA (0.42) EPHX2SMN1; SMN2CA12CA1CA2
SCHEMBL5413350 0.74 NPC1 (0.46) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5414559 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNA
SCHEMBL14066327 0.74 GRIN2D (0.55) EPHX2CA12CA1CA2CA9
SCHEMBL5410214 0.72 SLC6A4 (0.42)
SCHEMBL5403135 0.72 MTNR1A (0.46) EPHX2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL5407587 0.71 SLC6A4 (0.48) CYP1A2CYP2C19
SCHEMBL5401748 0.71 SLC6A4 (0.48) CYP1A2CYP2C19
SCHEMBL7526215 0.70 EPHX2 (0.40) EPHX2SMN1; SMN2CA12CA1CA2

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-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed