SCHEMBL27968359

SCHEMBL27968359

c1ccc(Cc2cnn(-c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.55
DRD2 P14416 7/20 0.55
DRD3 P35462 7/20 0.55
GAA P10253 2/20 0.53
MPO P05164 1/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
MPI P34949 1/20 0.49
RECQL P46063 1/20 0.49
ESR2 Q92731 1/20 0.49
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
HTR2C P28335 2/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL15945060 0.85 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL27527099 0.84 LTA4H (0.57) DRD4DRD2DRD3GAAMAPT
SCHEMBL9608917 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL8276924 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMPO
SCHEMBL27163243 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMPO
SCHEMBL6852145 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMPO
SCHEMBL2412911 0.81 GAA (0.58) DRD4DRD2DRD3GAAMAPT
SCHEMBL2408942 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL4810042 0.80 DRD4 (0.51) DRD4DRD2DRD3GAAMPO
SCHEMBL15945077 0.79 DRD4 (0.54) DRD4DRD2DRD3GAAMPO

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
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed