SCHEMBL7939196

SCHEMBL7939196

COc1ccccc1N1CCN(Cc2oc(C(C)(C)C)nc2Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.51
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR7 P34969 2/20 0.49
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
TSHR P16473 1/20 0.48
HTR1A P08908 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7939791 0.86 MAPT (0.63) DRD4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL8038873 0.82 MEN1 (0.59) DRD4MAPK1MEN1KMT2ADRD2
SCHEMBL7939813 0.82 HTR1A (0.58) DRD4HTR7DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL8038700 0.82 MEN1 (0.58) DRD4MAPK1MEN1KMT2ADRD2
SCHEMBL7933353 0.81 DRD4 (0.50) DRD4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7939838 0.80 DRD2 (0.60) DRD4MAPTMEN1KMT2ADRD2
SCHEMBL7942668 0.79 SLC6A2 (0.51) DRD4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL9225440 0.75 MAPK1 (0.81) DRD4ALDH1A1MAPK1ADRA1DADRA1A
SCHEMBL7939817 0.75 MAPK1 (0.56) DRD4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7940912 0.72 MAPT (0.47) DRD4MAPTALDH1A1MAPK1SMN1; SMN2

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