SCHEMBL8828381

SCHEMBL8828381

CCCNN1CCN(c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
NR1H2 P55055 1/20 0.37
NCF1 P14598 1/20 0.37
SNCA P37840 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 1/20 0.36
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
TSHR P16473 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL8828451 0.87 DRD2 (0.45) DRD3DRD2ALDH1A1KMT2ADRD4
SCHEMBL8828348 0.84 BRD9 (0.40) DRD3DRD2ALDH1A1DRD4NCF1
SCHEMBL8828572 0.81 ADRB1 (0.49) DRD3DRD2ALDH1A1KMT2AHTR7
Sifaprazine SCHEMBL21524898 0.77 NCF1 (0.58) DRD3DRD2ALDH1A1MEN1KMT2A
SCHEMBL8828393 0.77 HSD17B10 (0.55) DRD3DRD2ALDH1A1MEN1KMT2A
Sifaprazine SCHEMBL9656921 0.76 NCF1 (0.56) DRD3DRD2ALDH1A1MEN1KMT2A
SCHEMBL27413682 0.76 DRD2 (0.56) DRD3DRD2ALDH1A1MEN1KMT2A
SCHEMBL4249373 0.75 TSHR (0.56) DRD3DRD2ALDH1A1MEN1KMT2A
SCHEMBL2172785 0.75 HRH1 (0.47) DRD3DRD2MEN1KMT2ADRD4
SCHEMBL8828453 0.74 DRD4 (0.46) DRD3DRD2ALDH1A1DRD4HTR7

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed