SCHEMBL27809384

SCHEMBL27809384

O=C(O)N1CCN(c2ccc(-c3ccccn3)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.43
HSD11B1 P28845 1/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
DHODH Q02127 1/20 0.40
SCN9A Q15858 1/20 0.39
CNR2 P34972 1/20 0.39
HPGDS O60760 1/20 0.38
NPY5R Q15761 1/20 0.38
METAP1 P53582 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL3664852 0.81 HSD11B1 (0.41) HSD11B1
SCHEMBL3664360 0.79 LTA4H (0.43) SLC6A7HSD11B1DHODHMETAP1
SCHEMBL3658246 0.79 ALDH1A1 (0.48) HSD11B1CNR2KDM4E
SCHEMBL974424 0.79 HSD11B1 (0.50) HSD11B1
SCHEMBL3667493 0.77 HSD11B1 (0.38) HSD11B1HDAC1
SCHEMBL3666304 0.75 HSD11B1 (0.42) HSD11B1KDM4E
SCHEMBL3662832 0.74 HRH3 (0.43) HSD11B1
SCHEMBL1861484 0.73 HSD11B1 (0.52) HSD11B1KDM4EHDAC1
SCHEMBL21273955 0.73 SLC6A7 (0.60) SLC6A7ABL1BCRMETAP1
SCHEMBL3664800 0.73 HSD11B1 (0.56) HSD11B1HDAC1HDAC2

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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN disclosed