SCHEMBL7940933

SCHEMBL7940933

c1ccc(Cc2nc(CC3CCCCC3)oc2CN2CCN(c3cccc4[nH]ccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.55
DRD4 P21917 6/20 0.55
DRD3 P35462 6/20 0.55
GAA P10253 3/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 7/20 0.39
HTR6 P50406 5/20 0.39
HTR2A P28223 4/20 0.39
HTR7 P34969 4/20 0.39
ADRB1 P08588 1/20 0.37
MAPK14 Q16539 1/20 0.36
GOT1 P17174 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
SCHEMBL7939820 0.86 DRD2 (0.57) DRD2DRD4DRD3GAAMAPT
SCHEMBL7939784 0.83 ALDH1A1 (0.47) DRD2DRD4DRD3MAPT
SCHEMBL7942668 0.81 SLC6A2 (0.51) DRD2DRD4DRD3GAAMAPT
SCHEMBL7939838 0.80 DRD2 (0.60) DRD2DRD4DRD3GAAMAPT
SCHEMBL12401748 0.77 DRD2 (0.69) DRD2DRD4DRD3GAAMAPT
SCHEMBL8053407 0.75 MEN1 (0.47) DRD2GAAMEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL8143284 0.74 MEN1 (0.46) DRD2GAAMEN1KMT2AHTR1A
SCHEMBL2161609 0.73 DRD4 (1.00) DRD2DRD4DRD3GAAMAPT
SCHEMBL7944691 0.70 RAB9A (0.44) MEN1KMT2A
SCHEMBL7939807 0.67 HTR1A (0.56) DRD2DRD4DRD3HTR1AHTR2A

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
US-6242448-B1 Trisubstituted-oxazole derivatives as serotonin ligands AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 US claimed
US-6242448-B1 Trisubstituted-oxazole derivatives as serotonin ligands AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 US disclosed