SCHEMBL7939807

SCHEMBL7939807

c1ccc(Cc2nc(C3CCCCC3)oc2CN2CCN(c3cccc4c3OCCO4)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.56
DRD2 P14416 4/20 0.56
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 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
SCHEMBL7933353 0.82 DRD4 (0.50) HTR1ADRD2DRD4HTR7DRD3
SCHEMBL7939813 0.81 HTR1A (0.58) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL7939857 0.80 ALDH1A1 (0.47) HTR1ADRD2DRD4HTR7DRD3
SCHEMBL7939817 0.76 MAPK1 (0.56) DRD2DRD4HTR7DRD3
SCHEMBL13533015 0.76 HTR1A (0.81) HTR1ADRD2
SCHEMBL11884620 0.73 PDE5A (0.39)
SCHEMBL7940912 0.73 MAPT (0.47) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL13533020 0.72 HTR1A (1.00) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL8049534 0.72 MEN1 (0.58) DRD2DRD4
SCHEMBL7830509 0.71 HTR1A (0.48) HTR1ADRD2

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