SCHEMBL7940912

SCHEMBL7940912

COc1ccccc1N1CCN(Cc2oc(C3CCCCC3)nc2Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR7 P34969 4/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
DRD4 P21917 2/20 0.44
HTR2A P28223 2/20 0.44
HTR1A P08908 1/20 0.44

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 0.90 DRD4 (0.50) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7939817 0.90 MAPK1 (0.56) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL8049534 0.77 MEN1 (0.58) MEN1KMT2AMAPK1DRD2DRD4
SCHEMBL7942668 0.77 SLC6A2 (0.51) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7939791 0.73 MAPT (0.63) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7939807 0.73 HTR1A (0.56) HTR7DRD2DRD3DRD4HTR2A
SCHEMBL7939857 0.72 ALDH1A1 (0.47) MEN1KMT2AHTR7KDM4ETSHR
SCHEMBL7939196 0.72 DRD4 (0.53) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL7939820 0.72 DRD2 (0.57) MAPTMEN1KMT2AHTR7DRD2
Fumaric Acid SCHEMBL8051620 0.72 MEN1 (0.51) MEN1KMT2AMAPK1DRD2DRD4

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