SCHEMBL7939791

SCHEMBL7939791

COc1ccccc1N1CCN(Cc2oc(-c3ccccc3)nc2Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
PKM P14618 1/20 0.63
DRD4 P21917 4/20 0.58
HTR7 P34969 2/20 0.54
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
TSHR P16473 1/20 0.49
HTR1A P08908 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL7939196 0.86 DRD4 (0.53) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL7942668 0.83 SLC6A2 (0.51) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL7933353 0.82 DRD4 (0.50) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL9225440 0.77 MAPK1 (0.81) ALDH1A1MAPK1DRD4HTR7DRD2
SCHEMBL7939817 0.77 MAPK1 (0.56) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL7991732 0.74 DRD4 (1.00) ALDH1A1MAPK1DRD4HTR7DRD2
SCHEMBL7940912 0.73 MAPT (0.47) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL12962320 0.73 DRD2 (0.61) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL12962215 0.72 DRD4 (0.54) MAPTALDH1A1MAPK1SMN1; SMN2PKM
SCHEMBL12962134 0.72 ACKR3 (0.69) ALDH1A1DRD4HTR7DRD2DRD3

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