SCHEMBL6793302

SCHEMBL6793302

COc1ccccc1-c1ccccc1CN1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.72
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
DRD2 P14416 4/20 0.61
DRD4 P21917 4/20 0.61
DRD3 P35462 4/20 0.61
HRH2 P25021 3/20 0.61
HRH1 P35367 2/20 0.61
HRH3 Q9Y5N1 2/20 0.58
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2493434 0.88 HTR7 (0.58) HTR7MEN1KMT2ADRD2DRD4
SCHEMBL2492921 0.87 MEN1 (0.59) HTR7MEN1KMT2ADRD2DRD4
SCHEMBL13284339 0.86 MEN1 (0.79) MEN1KMT2ADRD2HRH3ALDH1A1
SCHEMBL3161038 0.85 MEN1 (0.82) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL15937713 0.84 HTR7 (1.00) HTR7KMT2ADRD2DRD4DRD3
SCHEMBL12856249 0.81 MEN1 (0.72) MEN1KMT2ADRD2HRH3ALDH1A1
SCHEMBL9831188 0.79 KDM4E (0.69) MEN1KMT2AHRH3ALDH1A1TSHR
SCHEMBL22810443 0.79 KMT2A (0.71) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL6791318 0.78 HTR7 (0.59) HTR7MEN1KMT2ADRD2DRD4
SCHEMBL11849036 0.78 ALDH1A1 (0.55) HTR7MEN1KMT2ADRD2DRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed