SCHEMBL7933353

SCHEMBL7933353

COc1ccccc1N1CCN(Cc2oc(C3CCCCC3)nc2Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.50
HTR7 P34969 2/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
NTSR1 P30989 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7939817 0.94 MAPK1 (0.56) DRD4HTR7MAPTMAPK1ALDH1A1
SCHEMBL7940912 0.90 MAPT (0.47) DRD4HTR7MAPTMAPK1ALDH1A1
SCHEMBL8049534 0.86 MEN1 (0.58) DRD4MAPK1MEN1KMT2ADRD2
SCHEMBL7942668 0.85 SLC6A2 (0.51) DRD4HTR7MAPTMAPK1ALDH1A1
SCHEMBL7939791 0.82 MAPT (0.63) DRD4HTR7MAPTMAPK1ALDH1A1
SCHEMBL7939807 0.82 HTR1A (0.56) DRD4HTR7DRD2DRD3HTR1A
SCHEMBL7939857 0.82 ALDH1A1 (0.47) DRD4HTR7ALDH1A1MEN1KMT2A
SCHEMBL7939196 0.81 DRD4 (0.53) DRD4HTR7MAPTMAPK1ALDH1A1
SCHEMBL7939820 0.80 DRD2 (0.57) DRD4HTR7MAPTMEN1KMT2A
Fumaric Acid SCHEMBL8051620 0.80 MEN1 (0.51) DRD4MAPK1MEN1KMT2ADRD2

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