SCHEMBL7778307

SCHEMBL7778307

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCC/C=C/C(=O)N2CCC(N(C)C)CC2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HTR4 Q13639 4/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR1D P28221 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HSD11B1 P28845 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR2 P21802 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7773780 0.86 POLB (0.34) POLBLMNAKDM4E
SCHEMBL7780726 0.85 POLB (0.38) POLBHTR4CHRM4CHRM5ADRA2C
SCHEMBL7338684 0.84 AVPR2 (0.38) MEN1KMT2A
Hydrochloric Acid SCHEMBL7778566 0.83 AVPR2 (0.38) MEN1KMT2A
SCHEMBL7348135 0.82 FDPS (0.39) KDM4E
SCHEMBL7340038 0.81 L3MBTL3 (0.43) POLBHSD11B1L3MBTL3LRRK2TLR9
SCHEMBL7337645 0.80 ALDH1A1 (0.40) POLBKMT2A
SCHEMBL7343093 0.77 POLB (0.39) POLBCHRM4CHRM5CHRM3L3MBTL3
SCHEMBL7338964 0.75 KMT2A (0.43) POLBHTR4MEN1KMT2AKDM4E
SCHEMBL7375025 0.74 HTR1A (0.40) POLBHTR4HTR1DADRA1BMEN1

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed