SCHEMBL7824786

SCHEMBL7824786

CCCN1CCc2ccc(NC(=N)C3=CC=CCC3=S)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
DRD3 P35462 1/20 0.37
GAA P10253 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PRMT5 O14744 4/20 0.35
WDR77 Q9BQA1 4/20 0.35
PNMT P11086 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
USP2 O75604 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7827942 0.94 DRD2 (0.45) DRD2DRD3GAAITGB3ITGA2B
SCHEMBL7512685 0.92 BTK (0.38) DRD2GAAITGB3ITGA2BMEN1
SCHEMBL7818532 0.92 L3MBTL3 (0.38) DRD2GAAITGB3ITGA2BMEN1
SCHEMBL7827664 0.87 ROCK2 (0.38) DRD2DRD3KDM4E
SCHEMBL7516495 0.86 ALDH1A1 (0.36) GAAMEN1KMT2ATP53ALOX15
SCHEMBL7480136 0.84 MAPT (0.33) GAAMEN1KMT2ATP53ALDH1A1
SCHEMBL7829164 0.81 HRH3 (0.35) USP2ALDH1A1KDM4E
SCHEMBL7512428 0.79 L3MBTL3 (0.31)
SCHEMBL7517537 0.78 KCNN2 (0.33) DRD2TP53ALOX15ALDH1A1HTR1A
SCHEMBL7510864 0.77

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-0983266-B1 novel tetrahydroisoquinolin thiophenecarboximidamides ASTRAZENECA AB (SE) 2001-12-12 EP claimed